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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
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgwsR8TsKWA
Name Dimethyl 2-(2-((2S,3S)-2,3-dimethylbicyclo[2.2.1]heptan-2-yl)propyl)malonate
Classification Bicyclic monoterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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
Number of Peaks 10
SMILES C1[C@]2(C[C@]([C@@]([C@]2(C(CC(C(OC)=O)C(OC)=O)C)C)(C)[H])(C1)[H])[H]
SPLASH splash10-00di-5900000000-7bcf45b9edbce082b4ca
Source of Spectrum FF-28-56-11 (DOI: 10.1002/ffj.3127)
Synonyms Dimethyl 2-(2-((1R,2S,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptan-2-yl)propyl)malonate
Wiley ID 1775595