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cis-1-([Benzyloxycarbonyl]amino)-4-acetoxycyclohept-2-ene
SpectraBase Compound ID KylJEEINI9p
InChI InChI=1S/C17H21NO4/c1-13(19)22-16-9-5-8-15(10-11-16)18-17(20)21-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,15-16H,5,8-9,12H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKey ZUSNWSWUWGRENZ-CVEARBPZSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyBpT3HQ33m
Name cis-1-([Benzyloxycarbonyl]amino)-4-acetoxycyclohept-2-ene
Alternate Name(s) (1S,4R)-4-{[(benzyloxy)carbonyl]amino}-2-cyclohepten-1-yl acetate
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Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-13(19)22-16-9-5-8-15(10-11-16)18-17(20)21-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,15-16H,5,8-9,12H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKey ZUSNWSWUWGRENZ-CVEARBPZSA-N
Molecular Weight 303.358 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1(C=C[C@@](OC(=O)C)(CCC1)[H])[H]
SPLASH splash10-0006-9750000000-41f077a598ef8a3c77e3
Source of Spectrum F-49-463-19
Wiley ID 1305669