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[15-13CH3]-2-(4,7-Dimethyl-(1.alpha.H),2,3,(4.beta.H),(4a.alpha..H),5,8,(8a.beta.H)-octahydronaphthalen-1-yl)propionic acid
SpectraBase Compound ID BD6wdgqOz69
InChI InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h4,10-14H,5-8H2,1-3H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1/i1+1
InChIKey WJCXZVOSTWVSLP-CYJHXDIZSA-N
Mol Weight 237.35 g/mol
Molecular Formula C1413CH24O2
Exact Mass 237.180985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU5dpB2NUiT
Name [15-13CH3]-2-(4,7-Dimethyl-(1.alpha.H),2,3,(4.beta.H),(4a.alpha..H),5,8,(8a.beta.H)-octahydronaphthalen-1-yl)propionic acid
Comments Original formula: C14[13C]H24O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h4,10-14H,5-8H2,1-3H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1/i1+1
InChIKey WJCXZVOSTWVSLP-CYJHXDIZSA-N
Molecular Weight 237.347 g/mol
SMILES OC([C@@]([C@]1([C@]2(CC(=CC[C@]2([C@@](CC1)(C)[H])[H])[13CH3])[H])[H])(C)[H])=O
SPLASH splash10-03di-0900000000-ae21f9221acfeb87ab32
Source of Spectrum KC-60-1134-9
Wiley ID 1583215