| SpectraBase Spectrum ID |
55PhQ8aaZbp |
| Name |
(3S,4R)-1-keto-2-methyl-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid |
| CAS Registry Number |
106711-80-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17NO3 |
| InChI |
InChI=1S/C18H17NO3/c1-11-7-9-12(10-8-11)16-15(18(21)22)13-5-3-4-6-14(13)17(20)19(16)2/h3-10,15-16H,1-2H3,(H,21,22)/t15-,16-/m1/s1 |
| InChIKey |
KQLRZLODBQZMDS-HZPDHXFCSA-N |
| Molecular Weight |
295.338 g/mol |
| SMILES |
OC([C@]1([C@](N(C(c2ccccc12)=O)C)(c1ccc(cc1)C)[H])[H])=O |
| SPLASH |
splash10-001i-7900000000-bc48651d1567186d66a0 |
| Source of Spectrum |
J-52-913-0 |
| Synonyms |
(3S,4R)-2-methyl-1-oxo-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid
(3S,4R)-2-methyl-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid
(3S,4R)-2-methyl-3-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid |
| Wiley ID |
1298313 |
