| SpectraBase Compound ID | COLQeZPgZfS |
|---|---|
| InChI | InChI=1S/C18H23NO/c1-14-12-17(20)19(13-15-8-4-3-5-9-15)16-10-6-7-11-18(14,16)2/h3-5,8-10,14H,6-7,11-13H2,1-2H3/t14-,18+/m0/s1 |
| InChIKey | CPZYTHHIFPWSGB-KBXCAEBGSA-N |
| Mol Weight | 269.39 g/mol |
| Molecular Formula | C18H23NO |
| Exact Mass | 269.177964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9SDcDRzWR6j |
|---|---|
| Name | (4S,4aR)-1-benzyl-4,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23NO |
| InChI | InChI=1S/C18H23NO/c1-14-12-17(20)19(13-15-8-4-3-5-9-15)16-10-6-7-11-18(14,16)2/h3-5,8-10,14H,6-7,11-13H2,1-2H3/t14-,18+/m0/s1 |
| InChIKey | CPZYTHHIFPWSGB-KBXCAEBGSA-N |
| Molecular Weight | 269.388 g/mol |
| SMILES | C=12N(C(C[C@@]([C@@]2(C)CCCC1)(C)[H])=O)Cc1ccccc1 |
| SPLASH | splash10-00mo-9660000000-7f2c0848f3f1de92af2e |
| Source of Spectrum | J-60-1146-6 |
| Synonyms | 1-Benzyl-4,4a-dimethyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline regioisomer (4S,4aR)-1-Benzyl-4,4a-dimethyl-3,4,4a,5,6,7-hexahydro-1H-quinolin-2-one (4S,4aR)-4,4a-dimethyl-1-(phenylmethyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one 1-Benzyl-4,4a-dimethyl-3,4,4a,5,6,7-hexahydro-2(1H)-quinolinone |
| Wiley ID | 1273476 |