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(2R,3S,6R)-2-Carbamoyloxymethyl-3-methyl-2-(3'-propenyl)-6-isopropyl cyclohexanone
SpectraBase Compound ID FmvOKJWOUaf
InChI InChI=1S/C15H25NO3/c1-5-8-15(9-19-14(16)18)11(4)6-7-12(10(2)3)13(15)17/h5,10-12H,1,6-9H2,2-4H3,(H2,16,18)/t11-,12+,15-/m0/s1
InChIKey PVBPNJXPQRVONF-ZOWXZIJZSA-N
Mol Weight 267.37 g/mol
Molecular Formula C15H25NO3
Exact Mass 267.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F1Eu8tCXH2
Name (2R,3S,6R)-2-Carbamoyloxymethyl-3-methyl-2-(3'-propenyl)-6-isopropyl cyclohexanone
Appearance Colorless solid
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Formula C15H25NO3
InChI InChI=1S/C15H25NO3/c1-5-8-15(9-19-14(16)18)11(4)6-7-12(10(2)3)13(15)17/h5,10-12H,1,6-9H2,2-4H3,(H2,16,18)/t11-,12+,15-/m0/s1
InChIKey PVBPNJXPQRVONF-ZOWXZIJZSA-N
Instrument Name Finigan GCQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.117
Molecular Weight 267.369 g/mol
Optical Rotation [a]D28 = +49.1 (c = 0.013, CH2Cl2)
Quality 62
SMILES NC(OC[C@]1([C@](CC[C@@](C1=O)(C(C)C)[H])(C)[H])CC=C)=O
SPLASH splash10-0006-9840000000-64e4c7d35da49e10e53c
Source of Spectrum ARK-2001-274-5 (DOI: 10.3998/ark.5550190.0002.117)
Wiley ID 1908664