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2-Carbomethoxy-2-(4-chloro-3-(phenylthio)-(Z)-2-butenyl)-1-cyclopentanone
SpectraBase Compound ID IkkElBBORX9
InChI InChI=1S/C17H19ClO3S/c1-21-16(20)17(10-5-8-15(17)19)11-9-14(12-18)22-13-6-3-2-4-7-13/h2-4,6-7,9H,5,8,10-12H2,1H3/b14-9-
InChIKey HPFYAXSRJLAUHC-ZROIWOOFSA-N
Mol Weight 338.85 g/mol
Molecular Formula C17H19ClO3S
Exact Mass 338.074343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPT3yG37mja
Name 2-Carbomethoxy-2-(4-chloro-3-(phenylthio)-(Z)-2-butenyl)-1-cyclopentanone
CAS Registry Number 97644-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO3S
InChI InChI=1S/C17H19ClO3S/c1-21-16(20)17(10-5-8-15(17)19)11-9-14(12-18)22-13-6-3-2-4-7-13/h2-4,6-7,9H,5,8,10-12H2,1H3/b14-9-
InChIKey HPFYAXSRJLAUHC-ZROIWOOFSA-N
Molecular Weight 338.849 g/mol
SMILES C1(C(=O)OC)(C\C=C\(Sc2ccccc2)CCl)C(=O)CCC1
SPLASH splash10-0aou-9600000000-6a4102596e59b281a23f
Source of Spectrum J-50-4261-28
Synonyms Methyl 1-[(2Z)-4-chloro-3-(phenylsulfanyl)-2-butenyl]-2-oxocyclopentanecarboxylate
Wiley ID 1333572