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N-(2-[4-Butylthio-2,5-dimethoxyphenyl]ethyl)benzamide
SpectraBase Compound ID FZHtmQlXB7w
InChI InChI=1S/C21H27NO3S/c1-4-5-13-26-20-15-18(24-2)17(14-19(20)25-3)11-12-22-21(23)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13H2,1-3H3,(H,22,23)
InChIKey ZCJUYXBRCZYOHK-UHFFFAOYSA-N
Mol Weight 373.51 g/mol
Molecular Formula C21H27NO3S
Exact Mass 373.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dl7AgyJpVC4
Name N-(2-[4-Butylthio-2,5-dimethoxyphenyl]ethyl)benzamide
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 373.171164904 u
Formula C21H27NO3S
InChI InChI=1S/C21H27NO3S/c1-4-5-13-26-20-15-18(24-2)17(14-19(20)25-3)11-12-22-21(23)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13H2,1-3H3,(H,22,23)
InChIKey ZCJUYXBRCZYOHK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 373.511 g/mol
Nominal Mass 373 u
Quality 999
Retention Index 3000
SMILES C=1(C(=CC(=C(C1)OC)SCCCC)OC)CCNC(C=1C=CC=CC1)=O
SPLASH splash10-0udi-2592000000-393d62c4b14c3f90d019
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(4-butylthio-2,5-dimethoxyphenyl)ethyl)benzamide
Technique GC/MS
Wiley ID DD2024_022882