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2-cyano-2-(3-ketocyclopenten-1-yl)-2-(7-oxabicyclo[4.1.0]heptan-6-yl)acetic acid ethyl ester
SpectraBase Compound ID CtZEP2UZAjw
InChI InChI=1S/C16H19NO4/c1-2-20-14(19)15(10-17,11-6-7-12(18)9-11)16-8-4-3-5-13(16)21-16/h9,13H,2-8H2,1H3
InChIKey SFLMPEYCLRACQW-UHFFFAOYSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F39zOuoVCVa
Name ACETIC ACID, 1-CYANO-1-(CYCLOHEXEN-1,2-OXID-1-YL)-1-(3-OXOCYCLOPENT-1-EN-1-YL)-, ETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-2-20-14(19)15(10-17,11-6-7-12(18)9-11)16-8-4-3-5-13(16)21-16/h9,13H,2-8H2,1H3
InChIKey SFLMPEYCLRACQW-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 289.1309
SMILES C1C2(OC2CCC1)C(C#N)(C=1CCC(=O)C1)C(OCC)=O
SPLASH splash10-004l-9400000000-857d8daf36aef4edd97a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany