| SpectraBase Compound ID | ENMRES6bFDi |
|---|---|
| InChI | InChI=1S/C28H28N2O4/c31-27(23-13-15-24(16-14-23)33-20-22-10-5-2-6-11-22)30-25-19-29(18-21-8-3-1-4-9-21)17-7-12-26(25)34-28(30)32/h1-6,8-11,13-16,25-26H,7,12,17-20H2/t25-,26-/m1/s1 |
| InChIKey | BSHODLWZLFRPQR-CLJLJLNGSA-N |
| Mol Weight | 456.54 g/mol |
| Molecular Formula | C28H28N2O4 |
| Exact Mass | 456.204907 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D2TIMbxz8Po |
|---|---|
| Name | (3aR, 7aR)-3-(4'-Benzyloxybenzoyll)-5-benzyl-1-oxa-3,5-diaza-azulen-2-one |
| Alternate Name(s) | (3aR,8aR)-3-[oxo-(4-phenylmethoxyphenyl)methyl]-5-(phenylmethyl)-3a,4,6,7,8,8a-hexahydrooxazolo[4,5-c]azepin-2-one (3aR,8aR)-5-benzyl-3-(4-phenylmethoxybenzoyl)-3a,4,6,7,8,8a-hexahydro-[1,3]oxazolo[4,5-c]azepin-2-one (3aR,8aR)-5-benzyl-3-(4-benzyloxybenzoyl)-3a,4,6,7,8,8a-hexahydrooxazolo[4,5-c]azepin-2-one (3aR,8aR)-3-(4-phenylmethoxyphenyl)carbonyl-5-(phenylmethyl)-3a,4,6,7,8,8a-hexahydro-[1,3]oxazolo[4,5-c]azepin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H28N2O4 |
| InChI | InChI=1S/C28H28N2O4/c31-27(23-13-15-24(16-14-23)33-20-22-10-5-2-6-11-22)30-25-19-29(18-21-8-3-1-4-9-21)17-7-12-26(25)34-28(30)32/h1-6,8-11,13-16,25-26H,7,12,17-20H2/t25-,26-/m1/s1 |
| InChIKey | BSHODLWZLFRPQR-CLJLJLNGSA-N |
| Molecular Weight | 456.542 g/mol |
| SMILES | C1(N([C@]2([C@](O1)(CCCN(C2)Cc1ccccc1)[H])[H])C(c1ccc(OCc2ccccc2)cc1)=O)=O |
| SPLASH | splash10-03dl-9700100000-2b9d44a8dfe389075e28 |
| Source of Spectrum | G4-71-349-24 |
| Wiley ID | 1694955 |