![2-Phenyl-3-(1',2'-ethenylidene)-(3"-methoxycarbonyl)benzo[7,8-a]azocin-4-one](/api/spectrum/I5iq2f5aU4A/structure.png?h=300&w=458 "2-Phenyl-3-(1',2'-ethenylidene)-(3\"-methoxycarbonyl)benzo[7,8-a]azocin-4-one")
| SpectraBase Compound ID | AwjADho6OrB |
|---|---|
| InChI | InChI=1S/C21H21NO3/c1-25-20(24)16-7-9-17-15(13-16)8-10-18(23)21(11-12-21)19(22-17)14-5-3-2-4-6-14/h2-7,9,13,19,22H,8,10-12H2,1H3 |
| InChIKey | BNBIDBVZSDOEEB-UHFFFAOYSA-N |
| Mol Weight | 335.4 g/mol |
| Molecular Formula | C21H21NO3 |
| Exact Mass | 335.152144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I5iq2f5aU4A |
|---|---|
| Name | 2-Phenyl-3-(1',2'-ethenylidene)-(3"-methoxycarbonyl)benzo[7,8-a]azocin-4-one |
| Alternate Name(s) | 2-Phenyl-3-(1',2'-ethenylidene)-8-(3''-methoxycarbonyl)benzo[7,8-a]azocin-4-one 4-Oxo-2-phenyl-1,2,3,4,5,6-hexahydro-benzo[b]azocine-8-carboxylic acid methyl ester 4-Oxo-2-phenyl-8-spiro[1,2,5,6-tetrahydro-1-benzazocine-3,1'-cyclopropane]carboxylic acid methyl ester Methyl 4-oxo-2-phenylspiro[1,2,5,6-tetrahydro-1-benzazocine-3,1'-cyclopropane]-8-carboxylate Methyl 4-oxo-2-phenyl-spiro[1,2,5,6-tetrahydro-1-benzazocine-3,1'-cyclopropane]-8-carboxylate Methyl 4-oxidanylidene-2-phenyl-spiro[1,2,5,6-tetrahydro-1-benzazocine-3,1'-cyclopropane]-8-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H21NO3 |
| InChI | InChI=1S/C21H21NO3/c1-25-20(24)16-7-9-17-15(13-16)8-10-18(23)21(11-12-21)19(22-17)14-5-3-2-4-6-14/h2-7,9,13,19,22H,8,10-12H2,1H3 |
| InChIKey | BNBIDBVZSDOEEB-UHFFFAOYSA-N |
| Molecular Weight | 335.403 g/mol |
| SMILES | N1c2ccc(cc2CCC(C2(C1c1ccccc1)CC2)=O)C(=O)OC |
| SPLASH | splash10-05r9-5937000000-ef5e20a91ce4521123df |
| Source of Spectrum | D1-2000-1036-13 |
| Wiley ID | 835406 |