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Dodecane, 1-(heptylthio)-
SpectraBase Compound ID NDEQHsmRkE
InChI InChI=1S/C19H40S/c1-3-5-7-9-10-11-12-13-15-17-19-20-18-16-14-8-6-4-2/h3-19H2,1-2H3
InChIKey BMONIUVCBPWHMH-UHFFFAOYSA-N
Mol Weight 300.6 g/mol
Molecular Formula C19H40S
Exact Mass 300.285072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yYQW0NLtyT
Name Dodecane, 1-(heptylthio)-
CAS Registry Number 54934-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H40S
InChI InChI=1S/C19H40S/c1-3-5-7-9-10-11-12-13-15-17-19-20-18-16-14-8-6-4-2/h3-19H2,1-2H3
InChIKey BMONIUVCBPWHMH-UHFFFAOYSA-N
Molecular Weight 300.589 g/mol
SMILES C(CCCCCCCCCC)CSCCCCCCC
SPLASH splash10-0a4l-9100000000-5561c1ddbd2f84ab80dc
Source of Spectrum AD-0-3537-0
Synonyms 1-(Heptylsulfanyl)dodecane 1-(Heptylthio)dodecane
Wiley ID 44589