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1-(1-Hydroxycycloheptyl)-2-(p-tolylthio)-1-ethanone
SpectraBase Compound ID C3oJCcH22iI
InChI InChI=1S/C16H22O2S/c1-13-6-8-14(9-7-13)19-12-15(17)16(18)10-4-2-3-5-11-16/h6-9,18H,2-5,10-12H2,1H3
InChIKey IAGGKOJTRFJFHB-UHFFFAOYSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qtJGrSo3qB
Name 1-(1-Hydroxycycloheptyl)-2-(p-tolylthio)-1-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-13-6-8-14(9-7-13)19-12-15(17)16(18)10-4-2-3-5-11-16/h6-9,18H,2-5,10-12H2,1H3
InChIKey IAGGKOJTRFJFHB-UHFFFAOYSA-N
Molecular Weight 278.410 g/mol
SMILES OC1(C(CSc2ccc(cc2)C)=O)CCCCCC1
SPLASH splash10-00dr-0900000000-772797015679dbffb96b
Source of Spectrum AJ-64-1586-33
Synonyms 1-(1-hydroxycycloheptyl)-2-[(4-methylphenyl)sulfanyl]ethanone
Wiley ID 1281999