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2-Methyl-3-(2'-nitrobenzylthio)propanal
SpectraBase Compound ID 4W0dtzKSQjY
InChI InChI=1S/C11H13NO3S/c1-9(6-13)7-16-8-10-4-2-3-5-11(10)12(14)15/h2-6,9H,7-8H2,1H3
InChIKey YFKDDYOMJBOAIU-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 2AYH0PwIzhz
Name 2-Methyl-3-(2'-nitrobenzylthio)propanal
Alternate Name(s) 2-(4-Formyl-2-thiapentyl)nitrobenzene 2-Methyl-3-[(2-nitrobenzyl)sulfanyl]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3S
InChI InChI=1S/C11H13NO3S/c1-9(6-13)7-16-8-10-4-2-3-5-11(10)12(14)15/h2-6,9H,7-8H2,1H3
InChIKey YFKDDYOMJBOAIU-UHFFFAOYSA-N
Molecular Weight 239.289 g/mol
SMILES c1(N(=O)=O)c(CSCC(C=O)C)cccc1
SPLASH splash10-00vu-9600000000-af47f8b56c2f78cc687e
Source of Spectrum JA-50-807-0
Wiley ID 1241758