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Phenyl-carbamic acid (1 R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
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 22aBeQhW1ME
Name (-)-menthyl phenylcarbamate
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202000876
Molecular Weight 275.392 g/mol
Optical Rotation [a]D17 = 120 (c = 0.05, CDCl3)
SMILES N(C(=O)O[C@@]1(C[C@@](CC[C@]1(C(C)C)[H])(C)[H])[H])c1ccccc1
SPLASH splash10-066r-9800000000-44c5dc53e85080bf5d73
Source of Spectrum CCC-12-SM73-3bb
Wiley ID 1856080