![2-[(3R,3aR)-1-benzyl-2-keto-3a-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester](/api/spectrum/7rPGVVS2DDC/structure.png?h=300&w=458 "2-[(3R,3aR)-1-benzyl-2-keto-3a-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester")
| SpectraBase Compound ID | AehtReaauoi |
|---|---|
| InChI | InChI=1S/C19H23NO3/c1-19-11-7-6-10-16(19)20(13-14-8-4-3-5-9-14)18(22)15(19)12-17(21)23-2/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-,19+/m0/s1 |
| InChIKey | RZJGMUKUZWMWKX-HNAYVOBHSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C19H23NO3 |
| Exact Mass | 313.167794 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7rPGVVS2DDC |
|---|---|
| Name | 2-[(3R,3aR)-1-benzyl-2-keto-3a-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H23NO3 |
| InChI | InChI=1S/C19H23NO3/c1-19-11-7-6-10-16(19)20(13-14-8-4-3-5-9-14)18(22)15(19)12-17(21)23-2/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-,19+/m0/s1 |
| InChIKey | RZJGMUKUZWMWKX-HNAYVOBHSA-N |
| Molecular Weight | 313.397 g/mol |
| SMILES | C1(N(C=2[C@@]([C@]1(CC(=O)OC)[H])(CCCC2)C)Cc1ccccc1)=O |
| SPLASH | splash10-0006-7093000000-6b45a02748e99844f4ea |
| Source of Spectrum | J-60-1147-9 |
| Synonyms | 1-Benzyl-2-oxo-3a-methyl-2,3,3a,4,5,6,-hexahydroindole-3-acetic acid methyl ester regioisomer ((3R,3aR)-1-Benzyl-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-3-yl)-acetic acid methyl ester 2-[(3R,3aR)-3a-methyl-2-oxo-1-(phenylmethyl)-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester Methyl (1-benzyl-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-3-yl)acetate Methyl 2-[(3R,3aR)-1-benzyl-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-3-yl]acetate Methyl 2-[(3R,3aR)-3a-methyl-2-oxidanylidene-1-(phenylmethyl)-3,4,5,6-tetrahydroindol-3-yl]ethanoate |
| Wiley ID | 1314386 |