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(1R, 2S, 5R)-2-Isopropyl-5-methylcyclohexyl phenylcarbamate
SpectraBase Compound ID 3dHEdyGo7No
InChI InChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13-,15+,16-/m1/s1
InChIKey HDPFJNHRRLYGLW-VNQPRFMTSA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ftsc0vQDO80
Name (1R, 2S, 5R)-2-Isopropyl-5-methylcyclohexyl phenylcarbamate
Appearance White crystal
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Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13-,15+,16-/m1/s1
InChIKey HDPFJNHRRLYGLW-VNQPRFMTSA-N
Instrument Name Shimadzu GC-MS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901140
Molecular Weight 275.392 g/mol
Optical Rotation [a]D17 = -120 (c = 0.05, CDCl3)
Quality 768
SMILES N(C1=CC=CC=C1)C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-066r-9800000000-0cd24266d336c866c550
Source of Spectrum K1-2019-SM74-D21 (DOI: 10.1002/ejoc.201901140)
Wiley ID 1898396