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(1-Isopropyl-hex-5-enyl)-carbamic acid tert-butyl ester

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

(1-Isopropyl-hex-5-enyl)-carbamic acid tert-butyl ester
SpectraBase Compound ID 5bCXoNi0w8t
InChI InChI=1S/C14H27NO2/c1-7-8-9-10-12(11(2)3)15-13(16)17-14(4,5)6/h7,11-12H,1,8-10H2,2-6H3,(H,15,16)
InChIKey PMTJWEJPVZQBMM-UHFFFAOYSA-N
Mol Weight 241.37 g/mol
Molecular Formula C14H27NO2
Exact Mass 241.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5H8cRmMPBaJ
Name (1-Isopropyl-hex-5-enyl)-carbamic acid tert-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.204179111 u
Formula C14H27NO2
InChI InChI=1S/C14H27NO2/c1-7-8-9-10-12(11(2)3)15-13(16)17-14(4,5)6/h7,11-12H,1,8-10H2,2-6H3,(H,15,16)
InChIKey PMTJWEJPVZQBMM-UHFFFAOYSA-N
Molecular Weight 241.375 g/mol
SMILES C=CCCCC(C(C)C)NC(=O)OC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830125