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4-(2'-NITROBENZYLTHIO)-BUTANAL
SpectraBase Compound ID KSlsKfHMYUV
InChI InChI=1S/C11H13NO3S/c13-7-3-4-8-16-9-10-5-1-2-6-11(10)12(14)15/h1-2,5-7H,3-4,8-9H2
InChIKey LGUYLICUDDEVAP-UHFFFAOYSA-N
Mol Weight 239.29 g/mol
Molecular Formula C11H13NO3S
Exact Mass 239.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31Smb3iCZc
Name 2-(5-Formyl-2-thiapentyl)nitrobenzene
Alternate Name(s) 4-(2'-nitrobenzylthio)butanal 4-[(2-Nitrobenzyl)sulfanyl]butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3S
InChI InChI=1S/C11H13NO3S/c13-7-3-4-8-16-9-10-5-1-2-6-11(10)12(14)15/h1-2,5-7H,3-4,8-9H2
InChIKey LGUYLICUDDEVAP-UHFFFAOYSA-N
Molecular Weight 239.289 g/mol
SMILES c1(N(=O)=O)c(CSCCCC=O)cccc1
SPLASH splash10-00vu-9400000000-6572e082fc44cbe5cb23
Source of Spectrum JA-50-807-0
Wiley ID 1241757