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1-Cyclohexene, 2-(1-cyclopenten-3-one-1-yl)-3-[(carboxyethyl)(cyano)methyl]-
SpectraBase Compound ID K6QwX65qOdG
InChI InChI=1S/C16H19NO3/c1-2-20-16(19)15(10-17)14-6-4-3-5-13(14)11-7-8-12(18)9-11/h5,9,14-15H,2-4,6-8H2,1H3
InChIKey IAGDKHSSHBENHA-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VX6DXHWdc7
Name 1-CYCLOHEXENE, 2-(1-CYCLOPENTEN-3-ON-1-YL)-3-[(CARBOXYETHYL)(CYANO)METHYL]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-2-20-16(19)15(10-17)14-6-4-3-5-13(14)11-7-8-12(18)9-11/h5,9,14-15H,2-4,6-8H2,1H3
InChIKey IAGDKHSSHBENHA-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 273.1360
SMILES C=1(C=2C(C(C(OCC)=O)C#N)CCCC2)CCC(=O)C1
SPLASH splash10-03di-3910000000-5741cf07d6d741c64b51
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany