| SpectraBase Spectrum ID |
AZ1cN4FU3Ey |
| Name |
(3S,4R)-1-Keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.115758027 u |
| Formula |
C18H17NO4 |
| InChI |
InChI=1S/C18H17NO4/c1-19-16(11-7-9-12(23-2)10-8-11)15(18(21)22)13-5-3-4-6-14(13)17(19)20/h3-10,15-16H,1-2H3,(H,21,22)/t15-,16-/m1/s1 |
| InChIKey |
BXYDRXXLNSREMP-HZPDHXFCSA-N |
| Molecular Weight |
311.337 g/mol |
| SMILES |
C1(N([C@@]([C@@](C=2C=CC=CC12)(C(=O)O)[H])(C=1C=CC(=CC1)OC)[H])C)=O |
