![acetic acid [(3aR,7aR)-1-(benzyl)-6-keto-2,3,7,7a-tetrahydroindol-3a-yl]methyl ester](/api/spectrum/EDdmnxte7uq/structure.png?h=300&w=458 "acetic acid [(3aR,7aR)-1-(benzyl)-6-keto-2,3,7,7a-tetrahydroindol-3a-yl]methyl ester")
| SpectraBase Compound ID | E6RN4IjBuyA |
|---|---|
| InChI | InChI=1S/C18H21NO3/c1-14(20)22-13-18-8-7-16(21)11-17(18)19(10-9-18)12-15-5-3-2-4-6-15/h2-8,17H,9-13H2,1H3/t17-,18-/m1/s1 |
| InChIKey | RMRBYVMQIXJHDB-QZTJIDSGSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C18H21NO3 |
| Exact Mass | 299.152144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EDdmnxte7uq |
|---|---|
| Name | 1-(Acetoxymethyl)-7-benzyl-7-azabicyclo[4.3.0]non-2-en-4-one |
| Alternate Name(s) | (1-benzyl-6-oxo-1,2,3,6,7,7a-hexahydro-3aH-indol-3a-yl)methyl acetate Acetic acid (3aR,7aR)-1-benzyl-6-oxo-1,2,3,6,7,7a-hexahydro-indol-3a-ylmethyl ester Acetic acid [(3aR,7aR)-6-oxo-1-(phenylmethyl)-2,3,7,7a-tetrahydroindol-3a-yl]methyl ester [(3aR,7aR)-1-benzyl-6-oxo-2,3,7,7a-tetrahydroindol-3a-yl]methyl acetate [(3aR,7aR)-6-oxidanylidene-1-(phenylmethyl)-2,3,7,7a-tetrahydroindol-3a-yl]methyl ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H21NO3 |
| InChI | InChI=1S/C18H21NO3/c1-14(20)22-13-18-8-7-16(21)11-17(18)19(10-9-18)12-15-5-3-2-4-6-15/h2-8,17H,9-13H2,1H3/t17-,18-/m1/s1 |
| InChIKey | RMRBYVMQIXJHDB-QZTJIDSGSA-N |
| Molecular Weight | 299.370 g/mol |
| SMILES | [C@]12(N(CC[C@]2(C=CC(C1)=O)COC(=O)C)Cc1ccccc1)[H] |
| SPLASH | splash10-0006-9110000000-e00de09afeba1d8ba136 |
| Source of Spectrum | J-57-6044-25 |
| Wiley ID | 1302173 |