| SpectraBase Spectrum ID |
7Mp08O1rMSF |
| Name |
(3S,4R)-2-cyclohexyl-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid |
| CAS Registry Number |
106712-02-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23NO3 |
| InChI |
InChI=1S/C22H23NO3/c24-21-18-14-8-7-13-17(18)19(22(25)26)20(15-9-3-1-4-10-15)23(21)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19-20H,2,5-6,11-12H2,(H,25,26)/t19-,20-/m1/s1 |
| InChIKey |
OHMNZXDXOKJCME-WOJBJXKFSA-N |
| Molecular Weight |
349.430 g/mol |
| SMILES |
OC([C@]1([C@](N(C(c2ccccc12)=O)C1CCCCC1)(c1ccccc1)[H])[H])=O |
| SPLASH |
splash10-0a4i-0109000000-aca2907f5369f3507bcb |
| Source of Spectrum |
J-52-913-0 |
| Synonyms |
(3S,4R)-2-cyclohexyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
(3S,4R)-2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid |
| Wiley ID |
1341487 |
