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2-Ethyl-1-hexanethiol
SpectraBase Compound ID CIPRc7d34mr
InChI InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey UCJMHYXRQZYNNL-UHFFFAOYSA-N
Mol Weight 146.29 g/mol
Molecular Formula C8H18S
Exact Mass 146.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BF3QR48cUr
Name 1-Hexanethiol, 2-ethyl-
Alternate Name(s) 2-Ethyl-1-hexanethiol 2-Ethylhexane-1-thiol 2-Ethylhexanethiol 2-Ethyl hexyl mercaptan EINECS 230-854-1
CAS Registry Number 7341-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18S
InChI InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey UCJMHYXRQZYNNL-UHFFFAOYSA-N
Molecular Weight 146.292 g/mol
SMILES SCC(CCCC)CC
SPLASH splash10-0a4l-9000000000-f5ef3fde46dcf6fc8f2e
Source of Spectrum JX-2015-6-3158
Wiley ID 1728486