PSB-SB1202

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Systematic / IUPAC Name: 5-Methoxy-3-(2-methoxybenzyl)-7-pentyl-2H-chromen-2-one

ID: Reference5430

Other Names: 2H-1-Benzopyran-2-one, 5-methoxy-3-[(2-methoxyphenyl)methyl]-7-pentyl-;
5-Methoxy-3-[(2-methoxyphenyl)methyl]-7-pentyl-2H-1-benzopyran-2-one;
5-Methoxy-3-[(2-methoxyphenyl)methyl]-7-pentylchromen-2-one

Formula: C23H26O4

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

PSB-SB1202 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/4/2016 12:54:14 PM
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Identificators

InChI InChI=1S/C23H26O4/c1-4-5-6-9-16-12-21(26-3)19-15-18(23(24)27-22(19)13-16)14-17-10-7-8-11-20(17)25-2/h7-8,10-13,15H,4-6,9,14H2,1-3H3
InChI Key VZYCAUIYIZSPQY-UHFFFAOYSA-N
Canonical SMILES CCCCCC1=CC2=C(C=C(C(=O)O2)CC3=CC=CC=C3OC)C(=C1)OC
CAS 1399049605
Splash
Other Names 2H-1-Benzopyran-2-one, 5-methoxy-3-[(2-methoxyphenyl)methyl]-7-pentyl-;
5-Methoxy-3-[(2-methoxyphenyl)methyl]-7-pentyl-2H-1-benzopyran-2-one;
5-Methoxy-3-[(2-methoxyphenyl)methyl]-7-pentylchromen-2-one

In Other Databases

ChEMBL CHEMBL2177257
ChemSpider 28668367
PubChem 70677953
Wikipedia PSB-SB-1202