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Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-4-(2-pyridinylthio)-, methyl ester
SpectraBase Compound ID AjgKCkQNptc
InChI InChI=1S/C18H23NO3S/c1-3-4-5-8-14-13(12-17(20)22-2)11-15(18(14)21)23-16-9-6-7-10-19-16/h4-7,9-10,13-15H,3,8,11-12H2,1-2H3/b5-4-
InChIKey JFFSAFYWLCFQQA-PLNGDYQASA-N
Mol Weight 333.45 g/mol
Molecular Formula C18H23NO3S
Exact Mass 333.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPIj3Qza93r
Name Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-4-(2-pyridinylthio)-, methyl ester
CAS Registry Number 67012-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3S
InChI InChI=1S/C18H23NO3S/c1-3-4-5-8-14-13(12-17(20)22-2)11-15(18(14)21)23-16-9-6-7-10-19-16/h4-7,9-10,13-15H,3,8,11-12H2,1-2H3/b5-4-
InChIKey JFFSAFYWLCFQQA-PLNGDYQASA-N
Molecular Weight 333.446 g/mol
SMILES C1(C(Sc2ncccc2)CC(C1C\C=C/CC)CC(=O)OC)=O
SPLASH splash10-03di-9700000000-8db4b2bf968696f95ccf
Source of Spectrum H-61-1001-0
Synonyms (Z)-3-Methoxycarbonylmethyl-2-(pent-2-enyl)-5-(pyridyl-2-thiyl)cyclopentanone Methyl[3-oxo-2-[(2Z)-2-pentenyl]-4-(2-pyridinylsulfanyl)cyclopentyl]acetate
Wiley ID 1330199