| SpectraBase Spectrum ID |
AogL6o2Qfn1 |
| Name |
trans-2-Isopropyl-3-(2-hydroxyphenyl)-3,4-dihydro-1(2H)-isoquinoline-4-carboxylic acid |
| Alternate Name(s) |
(3R,4R)-3-(2-hydroxyphenyl)-2-isopropyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H19NO4 |
| InChI |
InChI=1S/C19H19NO4/c1-11(2)20-17(14-9-5-6-10-15(14)21)16(19(23)24)12-7-3-4-8-13(12)18(20)22/h3-11,16-17,21H,1-2H3,(H,23,24)/t16-,17+/m0/s1 |
| InChIKey |
VOFWHCKRHDCSKH-DLBZAZTESA-N |
| Molecular Weight |
325.364 g/mol |
| SMILES |
Oc1c([C@@]2([C@@](C(=O)O)(c3ccccc3C(N2C(C)C)=O)[H])[H])cccc1 |
| SPLASH |
splash10-004i-0009000000-dbbd80127110aa6bc0c4 |
| Source of Spectrum |
F-50-9407-5 |
| Wiley ID |
1324088 |
