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Carbamic acid, (7-oxo-1,5-heptadienyl)-, methyl ester, (E,Z)-

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

Carbamic acid, (7-oxo-1,5-heptadienyl)-, methyl ester, (E,Z)-
SpectraBase Compound ID 7Z6PQt7mLEs
InChI InChI=1S/C9H13NO3/c1-13-9(12)10-7-5-3-2-4-6-8-11/h4-8H,2-3H2,1H3,(H,10,12)/b6-4-,7-5+
InChIKey PNDAAHSXNCKMMT-XGXWUAJZSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID UAD61vdco0
Name Carbamic acid, (7-oxo-1,5-heptadienyl)-, methyl ester, (E,Z)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 183.089543280 u
Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c1-13-9(12)10-7-5-3-2-4-6-8-11/h4-8H,2-3H2,1H3,(H,10,12)/b6-4-,7-5+
InChIKey PNDAAHSXNCKMMT-XGXWUAJZSA-N
Molecular Weight 183.207 g/mol
SMILES C(=O)(N\C=C\CC\C=C/C=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913235