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2-(tert-butoxycarbonylamino)-5-(cyclohexen-1-yl)-6,6-dimethyl-hepta-3,4-dienoic acid ethyl ester
SpectraBase Compound ID Ltja8iXLmu5
InChI InChI=1S/C22H35NO4/c1-8-26-19(24)18(23-20(25)27-22(5,6)7)15-14-17(21(2,3)4)16-12-10-9-11-13-16/h12,15,18H,8-11,13H2,1-7H3,(H,23,25)
InChIKey KVDCNCQSMAGFKW-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KV5gWHqcDFp
Name 2-(tert-butoxycarbonylamino)-5-(cyclohexen-1-yl)-6,6-dimethyl-hepta-3,4-dienoic acid ethyl ester
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Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-8-26-19(24)18(23-20(25)27-22(5,6)7)15-14-17(21(2,3)4)16-12-10-9-11-13-16/h12,15,18H,8-11,13H2,1-7H3,(H,23,25)
InChIKey KVDCNCQSMAGFKW-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=O)OCC)C=C=C(C1=CCCCC1)C(C)(C)C
SPLASH splash10-0002-0191000000-214b03b33619fe3d966b
Source of Spectrum C5-2002-1768-9
Synonyms 5-(1-cyclohexenyl)-6,6-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hepta-3,4-dienoic acid ethyl ester Ethyl 2-(tert-butoxycarbonylamino)-5-(cyclohexen-1-yl)-6,6-dimethyl-hepta-3,4-dienoate Ethyl 5-(cyclohexen-1-yl)-6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hepta-3,4-dienoate
Wiley ID 1614901