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2-(4'-formylbutylthio)benzonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(4'-formylbutylthio)benzonitrile
SpectraBase Compound ID NJQri1qOIC
InChI InChI=1S/C12H13NOS/c13-10-11-6-2-3-7-12(11)15-9-5-1-4-8-14/h2-3,6-8H,1,4-5,9H2
InChIKey MDMMJPKPMJTFSZ-UHFFFAOYSA-N
Mol Weight 219.3 g/mol
Molecular Formula C12H13NOS
Exact Mass 219.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n4i3oI9inx
Name 2-(4'-formylbutylthio)benzonitrile
Alternate Name(s) 2-[(5-Oxopentyl)sulfanyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NOS
InChI InChI=1S/C12H13NOS/c13-10-11-6-2-3-7-12(11)15-9-5-1-4-8-14/h2-3,6-8H,1,4-5,9H2
InChIKey MDMMJPKPMJTFSZ-UHFFFAOYSA-N
Molecular Weight 219.302 g/mol
SMILES C(#N)c1c(SCCCCC=O)cccc1
SPLASH splash10-000i-0900000000-0f56814fa80f855b78bf
Source of Spectrum JA-50-807-0
Wiley ID 1218796