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Methyl 6-thia-11-octadecynoate
SpectraBase Compound ID KP3IKnYGYZR
InChI InChI=1S/C18H32O2S/c1-3-4-5-6-7-8-9-10-11-13-16-21-17-14-12-15-18(19)20-2/h3-7,10-17H2,1-2H3
InChIKey ISXIIURQZIQBLA-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O2S
Exact Mass 312.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33vry6TeuKV
Name Methyl 6-thia-11-octadecynoate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.212301442 u
Formula C18H32O2S
GC Column HP.1 (12 m x 0.2 mm, film thickness 0.33 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C18H32O2S/c1-3-4-5-6-7-8-9-10-11-13-16-21-17-14-12-15-18(19)20-2/h3-7,10-17H2,1-2H3
InChIKey ISXIIURQZIQBLA-UHFFFAOYSA-N
Instrument Name Hewlettt Packard HP5890
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.321
Molecular Weight 312.512 g/mol
Quality 123
SMILES C(CCCCSCCCCC#CCCCCCC)(=O)OC
SPLASH splash10-0ufs-0900000000-80b9adf7c62b6f8af316
Source of Spectrum ARK-2002-195-5 (DOI: 10.3998/ark.5550190.0003.321)
Thin-Layer Chromatography 0.4 (PE, 10%)
Wiley ID 1904673