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Benzoic acid, 3-[(1,2,3,4-tetrahydro-1-naphthalenyl)thio]-, methyl ester
SpectraBase Compound ID FrLrwX1qZLi
InChI InChI=1S/C18H18O2S/c1-20-18(19)14-8-4-9-15(12-14)21-17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17H,5,7,11H2,1H3
InChIKey OEBXQSKNYVVOEY-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C18H18O2S
Exact Mass 298.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID d8mRNWA7PI
Name Benzoic acid, 3-[(1,2,3,4-tetrahydro-1-naphthalenyl)thio]-, methyl ester
CAS Registry Number 89050-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O2S
InChI InChI=1S/C18H18O2S/c1-20-18(19)14-8-4-9-15(12-14)21-17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17H,5,7,11H2,1H3
InChIKey OEBXQSKNYVVOEY-UHFFFAOYSA-N
Molecular Weight 298.400 g/mol
SMILES C(c1cc(SC2c3c(cccc3)CCC2)ccc1)(=O)OC
SPLASH splash10-001i-0930000000-e8a7327e7449ea1a4d99
Source of Spectrum K-117-123-0
Synonyms 3-(1,2,3,4-tetrahydronaphthalen-1-ylthio)benzoic acid methyl ester Methyl 3-tetralin-1-ylsulfanylbenzoate Methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)benzoate
Wiley ID 1301048