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((1R,2S, 5R)-2'-Isopropyl-5'-methylcyclohexyl (1S,6R)-[6-Hydroxycyclohex-2-enyl]carbamate
SpectraBase Compound ID C3DE2PnQZ9C
InChI InChI=1S/C17H29NO3/c1-11(2)13-9-8-12(3)10-16(13)21-17(20)18-14-6-4-5-7-15(14)19/h4,6,11-16,19H,5,7-10H2,1-3H3,(H,18,20)/t12-,13+,14-,15-,16-/m1/s1
InChIKey VGHQXLDIFXOURR-YIDVYQOGSA-N
Mol Weight 295.42 g/mol
Molecular Formula C17H29NO3
Exact Mass 295.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kl93AsICPhQ
Name ((1R,2S, 5R)-2'-Isopropyl-5'-methylcyclohexyl (1S,6R)-[6-Hydroxycyclohex-2-enyl]carbamate
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Formula C17H29NO3
InChI InChI=1S/C17H29NO3/c1-11(2)13-9-8-12(3)10-16(13)21-17(20)18-14-6-4-5-7-15(14)19/h4,6,11-16,19H,5,7-10H2,1-3H3,(H,18,20)/t12-,13+,14-,15-,16-/m1/s1
InChIKey VGHQXLDIFXOURR-YIDVYQOGSA-N
Molecular Weight 295.423 g/mol
SMILES N(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[C@]1([C@@](CCC=C1)(O)[H])[H]
SPLASH splash10-02u4-9100000000-b4bd9d289c6e618bd00b
Source of Spectrum G4-71-348-20
Synonyms N-[(1R,6R)-6-hydroxy-1-cyclohex-2-enyl]carbamic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,6R)-6-hydroxycyclohex-2-en-1-yl]carbamate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] N-[(1R,6R)-6-hydroxycyclohex-2-en-1-yl]carbamate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] N-[(1R,6R)-6-oxidanylcyclohex-2-en-1-yl]carbamate
Wiley ID 1694958