(6R)-4-(1,3-Benzodioxol-4-ylmethyl)-1,4-oxazepan-6-ol

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Systematic / IUPAC Name:

ID: Reference11368

Other Names: NAT47-553659

Formula: C13H17NO4

Spectral Data

(6R)-4-(1,3-Benzodioxol-4-ylmethyl)-1,4-oxazepan-6-ol 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
No. of Spectral Trees 1
No. of Spectra 320
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/28/2022 11:44:52 AM
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Identificators

InChI InChI=1S/C13H17NO4/c15-11-7-14(4-5-16-8-11)6-10-2-1-3-12-13(10)18-9-17-12/h1-3,11,15H,4-9H2/t11-/m1/s1
InChI Key VGMXWZFDCJZTIW-LLVKDONJSA-N
Canonical SMILES C1COCC(CN1CC2=C3C(=CC=C2)OCO3)O
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Other Names NAT47-553659

In Other Databases

PubChem 75536952
ChEMBL CHEMBL3437170
ChemSpider 29855635