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1-Pentanethione, 5-cyclopropyl-2,2-dimethyl-1-phenyl-
SpectraBase Compound ID AcNL7WGWblA
InChI InChI=1S/C16H22S/c1-16(2,12-6-7-13-10-11-13)15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKey MEMFREHXLAGQFZ-UHFFFAOYSA-N
Mol Weight 246.41 g/mol
Molecular Formula C16H22S
Exact Mass 246.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnsUwvzOGu
Name 1-Pentanethione, 5-cyclopropyl-2,2-dimethyl-1-phenyl-
CAS Registry Number 72182-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22S
InChI InChI=1S/C16H22S/c1-16(2,12-6-7-13-10-11-13)15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKey MEMFREHXLAGQFZ-UHFFFAOYSA-N
Molecular Weight 246.412 g/mol
SMILES C(C(CCCC1CC1)(C)C)(=S)c1ccccc1
SPLASH splash10-0002-0960000000-705d3b23553cb9a23f7f
Source of Spectrum C-101-5731-0
Synonyms 1-Phenyl-2,2-dimethyl-5-cyclopropylthiopentanone 1-Phenyl-2,2-dimethyl-5-cyclopropyl-cyclopentyl-thiol, trans- Cyclopentanethiol, 5-cyclopropyl-2,2-dimethyl-1-phenyl-, trans- 5-cyclopropyl-2,2-dimethyl-1-phenyl-1-pentanethione
Wiley ID 1249460