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Benzyl 2-oxocyclohexylcarbamate

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

Benzyl 2-oxocyclohexylcarbamate
SpectraBase Compound ID KTEd6kThQol
InChI InChI=1S/C14H17NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)
InChIKey CUPVDJPKTJYHRA-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 98VP3tCjn4L
Name Benzyl 2-oxocyclohexylcarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)
InChIKey CUPVDJPKTJYHRA-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C(NC1C(=O)CCCC1)(=O)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844351