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13-chloranyl-2-methylsulfanyl-tridecanoic acid

View entire compound with spectra: 1 MS (GC)

13-chloranyl-2-methylsulfanyl-tridecanoic acid
SpectraBase Compound ID DPKOv132j9x
InChI InChI=1S/C14H27ClO2S/c1-18-13(14(16)17)11-9-7-5-3-2-4-6-8-10-12-15/h13H,2-12H2,1H3,(H,16,17)
InChIKey YFAOTKDLBLIJIV-UHFFFAOYSA-N
Mol Weight 294.88 g/mol
Molecular Formula C14H27ClO2S
Exact Mass 294.142029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KK63CHZtaJo
Name 13-chloranyl-2-methylsulfanyl-tridecanoic acid
CAS Registry Number 63049-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H27ClO2S
InChI InChI=1S/C14H27ClO2S/c1-18-13(14(16)17)11-9-7-5-3-2-4-6-8-10-12-15/h13H,2-12H2,1H3,(H,16,17)
InChIKey YFAOTKDLBLIJIV-UHFFFAOYSA-N
Molecular Weight 294.881 g/mol
SMILES OC(=O)C(SC)CCCCCCCCCCCCl
SPLASH splash10-07cs-9370000000-eba23fc771a79a229f48
Source of Spectrum C-99-3110-0
Synonyms 13-chloro-2-(methylsulfanyl)tridecanoic acid 13-chloro-2-(methylthio)tridecanoic acid 13-chloro-2-methylsulfanyltridecanoic acid
Wiley ID 1296904