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4-(octylthio)carbonylbenzoic acid methyl ester
SpectraBase Compound ID GmSRHMgQFZj
InChI InChI=1S/C17H24O3S/c1-3-4-5-6-7-8-13-21-17(19)15-11-9-14(10-12-15)16(18)20-2/h9-12H,3-8,13H2,1-2H3
InChIKey OSPHCTLMUGAKAN-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmM7LXTi4eq
Name 4-(octylthio)carbonylbenzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-3-4-5-6-7-8-13-21-17(19)15-11-9-14(10-12-15)16(18)20-2/h9-12H,3-8,13H2,1-2H3
InChIKey OSPHCTLMUGAKAN-UHFFFAOYSA-N
Molecular Weight 308.436 g/mol
SMILES C(c1ccc(C(=O)OC)cc1)(=O)SCCCCCCCC
SPLASH splash10-03di-0900000000-53d6a9c723fbe45207cd
Source of Spectrum F-70-3146-10
Synonyms 4-[(octylthio)-oxomethyl]benzoic acid methyl ester
Wiley ID 1596678