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2-Heptadecylthiophene

View entire compound with spectra: 1 MS (GC)

2-Heptadecylthiophene
SpectraBase Compound ID IY63H4p6cQz
InChI InChI=1S/C21H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3
InChIKey PTPJDXPPXVKZJK-UHFFFAOYSA-N
Mol Weight 322.6 g/mol
Molecular Formula C21H38S
Exact Mass 322.269422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOEa7zem7zd
Name 2-Heptadecylthiophene
CAS Registry Number 59782-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38S
InChI InChI=1S/C21H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3
InChIKey PTPJDXPPXVKZJK-UHFFFAOYSA-N
Molecular Weight 322.595 g/mol
SMILES CCCCCCCCCCCCCCCCCc1cccs1
SPLASH splash10-0002-9100000000-5b6fe4943d7c009eed79
Source of Spectrum W6-0-0-0
Synonyms Thiophene, 2-heptadecyl-
Wiley ID 113248