Cyclopenol

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Systematic / IUPAC Name: (3S,3'R)-3'-(3-Hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione

ID: Reference7912

Other Names: (3S,3'R)-3'-(3-Hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione;
Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, (3S,3'R)-

Formula: C17H14N2O4

Spectral Data

Cyclopenol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/9/2018 1:12:24 PM
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Identificators

InChI InChI=1S/C17H14N2O4/c1-19-15(21)12-7-2-3-8-13(12)18-16(22)17(19)14(23-17)10-5-4-6-11(20)9-10/h2-9,14,20H,1H3,(H,18,22)/t14-,17+/m1/s1
InChI Key BDDNYDPRCCDQQJ-PBHICJAKSA-N
Canonical SMILES CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O
CAS 20007856
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Other Names (3S,3'R)-3'-(3-Hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione;
Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, (3S,3'R)-

In Other Databases

ChEMBL CHEMBL1602950
PubChem 16681741
ChemSpider 17614391