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Carbamic acid, [5-methyl-6-(3-oxo-1-hexenyl)-2-cyclohexen-1-yl]-, ethyl ester, [1.alpha.,5.beta.,6.alpha.(E)]-(.+-.)-
SpectraBase Compound ID 4M5ia90mIhd
InChI InChI=1S/C16H25NO3/c1-4-7-13(18)10-11-14-12(3)8-6-9-15(14)17-16(19)20-5-2/h6,9-12,14-15H,4-5,7-8H2,1-3H3,(H,17,19)/b11-10+/t12-,14+,15-/m1/s1
InChIKey DLYNNMZNOHVSKJ-WTEYCDQGSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFP15vNNxwx
Name Carbamic acid, [5-methyl-6-(3-oxo-1-hexenyl)-2-cyclohexen-1-yl]-, ethyl ester, [1.alpha.,5.beta.,6.alpha.(E)]-(.+-.)-
CAS Registry Number 63897-57-4
Comments Less than 3 mono-isotopic peaks
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Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-4-7-13(18)10-11-14-12(3)8-6-9-15(14)17-16(19)20-5-2/h6,9-12,14-15H,4-5,7-8H2,1-3H3,(H,17,19)/b11-10+/t12-,14+,15-/m1/s1
InChIKey DLYNNMZNOHVSKJ-WTEYCDQGSA-N
Molecular Weight 279.380 g/mol
SMILES N(C(=O)OCC)[C@]1([C@@](\C=C\C(=O)CCC)([C@@](CC=C1)(C)[H])[H])[H]
SPLASH splash10-0006-0900000000-92588c2724d5f30eac7c
Source of Spectrum C-100-5183-0
Synonyms ethyl (1R,5R,6R)-5-methyl-6-[(1E)-3-oxo-1-hexenyl]-2-cyclohexen-1-ylcarbamate N-Carboxy-1-amino-5-methyl-6-(3-oxyhex-1-enyl)-cyclohex-2-en ethyl ester
Wiley ID 1283049