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isocyanic acid, hexyl ester

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 MS (GC)

isocyanic acid, hexyl ester
SpectraBase Compound ID DyVqAUrtan9
InChI InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey ANJPRQPHZGHVQB-UHFFFAOYSA-N
Mol Weight 127.19 g/mol
Molecular Formula C7H13NO
Exact Mass 127.099714 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMxAOvZyI3f
Name Hexyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 414883
CAS Registry Number 2525-62-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO
InChI InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey ANJPRQPHZGHVQB-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms n-hexyl-isocyanate Isocyanic acid n-hexyl ester
Wiley ID SIAL_13CNMR_009175