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3-(Phenylthio)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SpectraBase Compound ID 7BGy0bJpms2
InChI InChI=1S/C17H16O2S/c18-17(19)15-10-12-6-4-5-7-13(12)11-16(15)20-14-8-2-1-3-9-14/h1-3,8-11H,4-7H2,(H,18,19)
InChIKey SPQRBYZFPLFLIS-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C17H16O2S
Exact Mass 284.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8r3h7RUr91
Name 3-(Phenylthio)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Alternate Name(s) 3-(Phenylsulfanyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid
CAS Registry Number 102736-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2S
InChI InChI=1S/C17H16O2S/c18-17(19)15-10-12-6-4-5-7-13(12)11-16(15)20-14-8-2-1-3-9-14/h1-3,8-11H,4-7H2,(H,18,19)
InChIKey SPQRBYZFPLFLIS-UHFFFAOYSA-N
Molecular Weight 284.373 g/mol
SMILES OC(c1c(Sc2ccccc2)cc2c(c1)CCCC2)=O
SPLASH splash10-001l-0690000000-0c0ed16f6194aa3d26f7
Source of Spectrum J-51-3015-14
Wiley ID 1288022