Dimethyl 2-(2-((2S,3S)-2,3-dimethylbicyclo[2.2.1]heptan-2-yl)propyl)malonate

SpectraBase Compound ID	GFQKNiKFKRE
InChI	InChI=1S/C17H28O4/c1-10(8-14(15(18)20-4)16(19)21-5)17(3)11(2)12-6-7-13(17)9-12/h10-14H,6-9H2,1-5H3/t10?,11-,12+,13-,17+/m0/s1
InChIKey	HQSZISLXXQBJBT-XFEJNUEDSA-N Google Search
Mol Weight	296.41 g/mol
Molecular Formula	C17H28O4
Exact Mass	296.198759 g/mol

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SpectraBase Spectrum ID	BJsR8fB2oY2
Name	Dimethyl 2-(2-((2S,3S)-2,3-dimethylbicyclo[2.2.1]heptan-2-yl)propyl)malonate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	296.198759378 u
Formula	C17H28O4
InChI	InChI=1S/C17H28O4/c1-10(8-14(15(18)20-4)16(19)21-5)17(3)11(2)12-6-7-13(17)9-12/h10-14H,6-9H2,1-5H3/t10?,11-,12+,13-,17+/m0/s1
InChIKey	HQSZISLXXQBJBT-XFEJNUEDSA-N
Molecular Weight	296.407 g/mol
SMILES	C1[C@]2(C[C@]([C@@]([C@]2(C(CC(C(OC)=O)C(OC)=O)C)C)(C)[H])(C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.940736