| SpectraBase Spectrum ID |
A9HRYqldVtS |
| Name |
4-Isoquinolinecarboxylic acid, 2-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-1-oxo-3-phenyl-, cis- |
| CAS Registry Number |
106712-03-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-20(2,3)21-17(13-9-5-4-6-10-13)16(19(23)24)14-11-7-8-12-15(14)18(21)22/h4-12,16-17H,1-3H3,(H,23,24)/t16-,17-/m1/s1 |
| InChIKey |
QXDBMNSSLILIDL-IAGOWNOFSA-N |
| Molecular Weight |
323.392 g/mol |
| SMILES |
OC([C@]1([C@](N(C(c2ccccc12)=O)C(C)(C)C)(c1ccccc1)[H])[H])=O |
| SPLASH |
splash10-02t9-9040000000-0cbe06837b2eda11d2a0 |
| Source of Spectrum |
J-52-913-0 |
| Synonyms |
(3S,4R)-2-tert-butyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
cis-N-tert-butyl-3-phenyl-4-carboxy-3,4-dihydro-1(2H)-isoquinolone |
| Wiley ID |
1322588 |
