(2R,3S)-3-Methyl-2-(1-oxocyclopentylmethylene)bicyclo[2.2.1]hept-5-ene

SpectraBase Compound ID	lqWt6ELcsj
InChI	InChI=1S/C14H18O/c1-9-10-5-6-11(7-10)13(9)8-12-3-2-4-14(12)15/h5-6,8-11,13H,2-4,7H2,1H3/b12-8-/t9-,10?,11?,13+/m0/s1
InChIKey	LDFFSFRADIGDBX-HMGCCSLRSA-N Google Search
Mol Weight	202.3 g/mol
Molecular Formula	C14H18O
Exact Mass	202.135765 g/mol

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SpectraBase Spectrum ID	Dc6FgMcvH0J
Name	(2R,3S)-3-Methyl-2-(1-oxocyclopentylmethylene)bicyclo[2.2.1]hept-5-ene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	202.135765199 u
Formula	C14H18O
InChI	InChI=1S/C14H18O/c1-9-10-5-6-11(7-10)13(9)8-12-3-2-4-14(12)15/h5-6,8-11,13H,2-4,7H2,1H3/b12-8-/t9-,10?,11?,13+/m0/s1
InChIKey	LDFFSFRADIGDBX-HMGCCSLRSA-N
Molecular Weight	202.297 g/mol
SMILES	[C@]1(\C=C/2C(=O)CCC2)(C2C=CC([C@@]1(C)[H])C2)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.873036