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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRAEblbbgio
Name Carbamic acid, (7-oxo-1,5-heptadienyl)-, methyl ester, (E,Z)-
Alternate Name(s) 7-[N-(methoxycarbonyl)amino]-2,6-heptadienal Methyl (1E,5Z)-7-oxo-1,5-heptadienylcarbamate
CAS Registry Number 112622-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C(=O)OC)\C=C\CC\C=C/C=O
SPLASH splash10-03e9-7900000000-5c0f4a458d6833614c07
Source of Spectrum J-53-971-14
Wiley ID 1179648