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1-Dodecanethiol

View entire compound with spectra: 10 NMR, 9 FTIR, 9 MS (GC), and 2 Near IR

1-Dodecanethiol
SpectraBase Compound ID EOO4aqmbe8o
InChI InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey WNAHIZMDSQCWRP-UHFFFAOYSA-N
Mol Weight 202.4 g/mol
Molecular Formula C12H26S
Exact Mass 202.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14IhtjUePFl
Name 1-Dodecanethiol
CAS Registry Number 112-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26S
InChI InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey WNAHIZMDSQCWRP-UHFFFAOYSA-N
Molecular Weight 202.400 g/mol
SMILES SCCCCCCCCCCCC
SPLASH splash10-0a4l-9100000000-d781e30680849defe01f
Synonyms 1-Dodecyl mercaptan 1-Mercaptododecane Dodecane-1-thiol Dodecanethiol-(1) Dodecyl mercaptan Dodecylthiol Lauryl mercaptan Lauryl mercaptide M-dodecyl mercaptan M-lauryl mercaptan n-Dodecanethiol n-Dodecyl mercaptan n-Dodecylthiol n-Lauryl mercaptan Pennfloat M Pennfloat S AI3-07577 BRN 0969337 CCRIS 743 EINECS 203-984-1 HSDB 1074 NCI-C60935 NSC 814
Wiley ID 1497067