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2-E-[2''-OXO-CYCLOPENT-3''-ENE-1''-YLIDENE]-ETHYL-BENZOATE
SpectraBase Compound ID FSNspD8QMMS
InChI InChI=1S/C14H12O3/c15-13-8-4-7-11(13)9-10-17-14(16)12-5-2-1-3-6-12/h1-6,8-9H,7,10H2/b11-9+
InChIKey IPISPJFKLRUAPY-PKNBQFBNSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ge9wsG9Kpo
Name 2-E-[2''-OXO-CYCLOPENT-3''-ENE-1''-YLIDENE]-ETHYL-BENZOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c15-13-8-4-7-11(13)9-10-17-14(16)12-5-2-1-3-6-12/h1-6,8-9H,7,10H2/b11-9+
InChIKey IPISPJFKLRUAPY-PKNBQFBNSA-N
Literature Reference Author V.S.PARMAR,K.S.BISHT,A.MALHOTRA,A.JHA,W.ERRINGTON,O.W.HOWART H,O.D.TYAGI,P.C.STEI
Literature Reference Citation PHYTOCHEM.,38,951(1995)
Literature Reference DOI 10.1016/0031-9422(94)00732-9
Molecular Weight 228.247 g/mol
Solvent CDCl3
Source File Reference UWMS3816