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Benzyl (1S,2S)-N-(2-hydroxycyclohexyl)carbamate

View entire compound with spectra: 1 MS (GC)

Benzyl (1S,2S)-N-(2-hydroxycyclohexyl)carbamate
SpectraBase Compound ID KDfJwKNpTRZ
InChI InChI=1S/C14H19NO3/c1-10-14-17-12(13(9-16)18-14)8-15(10)7-11-5-3-2-4-6-11/h2-6,10,12-14,16H,7-9H2,1H3/t10-,12+,13-,14+/m0/s1
InChIKey QMZANRAJJCBMPH-AHLTXXRQSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbSr7J0LxbT
Name Benzyl (1S,2S)-N-(2-hydroxycyclohexyl)carbamate
Alternate Name(s) (1R,4S,5R,7S)-3-Benzyl-4-exo-methyl-7-endo-hydroxymethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane [(1R,4S,5R,7S)-3-benzyl-4-methyl-6,8-dioxa-3-azabicyclo[3.2.1]oct-7-yl]methanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-10-14-17-12(13(9-16)18-14)8-15(10)7-11-5-3-2-4-6-11/h2-6,10,12-14,16H,7-9H2,1H3/t10-,12+,13-,14+/m0/s1
InChIKey QMZANRAJJCBMPH-AHLTXXRQSA-N
Molecular Weight 249.310 g/mol
SMILES OC[C@]1([C@@]2(O[C@@]([C@@](N(C2)Cc2ccccc2)(C)[H])(O1)[H])[H])[H]
SPLASH splash10-0006-9000000000-6d70137c749598ed9429
Source of Spectrum J-64-7362-75
Wiley ID 1531101