| SpectraBase Spectrum ID |
ETBdJfkxNwI |
| Name |
2-Isopropyl-3-(2-acetoxyphenyl)-3,4-dihydro-1(2H)-isoquinoline-4-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO5 |
| InChI |
InChI=1S/C21H21NO5/c1-12(2)22-19(16-10-6-7-11-17(16)27-13(3)23)18(21(25)26)14-8-4-5-9-15(14)20(22)24/h4-12,18-19H,1-3H3,(H,25,26)/t18-,19+/m0/s1 |
| InChIKey |
KCWVSOWIXCOMNF-RBUKOAKNSA-N |
| Molecular Weight |
367.401 g/mol |
| SMILES |
OC([C@@]1([C@](N(C(c2ccccc12)=O)C(C)C)(c1c(OC(=O)C)cccc1)[H])[H])=O |
| SPLASH |
splash10-014i-0009000000-012c912bbd71d1d9da33 |
| Source of Spectrum |
F-50-9408-9 |
| Wiley ID |
1352590 |
