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5,5-Dimethyl-3-(2-propenyl)bicyclo[4.1.0]hept-2-en-2-yl 4-Nitrobenzoate
SpectraBase Compound ID J1VEO1mySBw
InChI InChI=1S/C19H21NO4/c1-4-5-13-11-19(2,3)16-10-15(16)17(13)24-18(21)12-6-8-14(9-7-12)20(22)23/h4,6-9,15-16H,1,5,10-11H2,2-3H3
InChIKey VGRJNQXSOKRIRB-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeDxYfPhIuM
Name 5,5-Dimethyl-3-(2-propenyl)bicyclo[4.1.0]hept-2-en-2-yl 4-Nitrobenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-4-5-13-11-19(2,3)16-10-15(16)17(13)24-18(21)12-6-8-14(9-7-12)20(22)23/h4,6-9,15-16H,1,5,10-11H2,2-3H3
InChIKey VGRJNQXSOKRIRB-UHFFFAOYSA-N
Molecular Weight 327.380 g/mol
SMILES C(c1ccc(cc1)N(=O)=O)(=O)OC=1C2C(C(CC1CC=C)(C)C)C2
SPLASH splash10-0udi-0900000000-7c41bc4900be9b4cd969
Source of Spectrum K1-0-4630-18
Synonyms 3-allyl-5,5-dimethylbicyclo[4.1.0]hept-2-en-2-yl 4-nitrobenzoate
Wiley ID 1589691