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menthol [(1R,2R)-2-hydroxycyclohexyl]carbamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

menthol [(1R,2R)-2-hydroxycyclohexyl]carbamate
SpectraBase Compound ID Gjlkq4TNxZj
InChI InChI=1S/C17H31NO3/c1-11(2)13-9-8-12(3)10-16(13)21-17(20)18-14-6-4-5-7-15(14)19/h11-16,19H,4-10H2,1-3H3,(H,18,20)/t12-,13+,14-,15-,16-/m1/s1
InChIKey JYPWGOXBGDETDM-YIDVYQOGSA-N
Mol Weight 297.44 g/mol
Molecular Formula C17H31NO3
Exact Mass 297.230394 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9eExLAUbKDh
Name Menthol [(1R,2R)-2-hydroxycyclohexyl]carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.230393859 u
Formula C17H31NO3
InChI InChI=1S/C17H31NO3/c1-11(2)13-9-8-12(3)10-16(13)21-17(20)18-14-6-4-5-7-15(14)19/h11-16,19H,4-10H2,1-3H3,(H,18,20)/t12-,13+,14-,15-,16-/m1/s1
InChIKey JYPWGOXBGDETDM-YIDVYQOGSA-N
SMILES C(N[C@]1([C@](O)(CCCC1)[H])[H])(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825703