| SpectraBase Spectrum ID |
GhQckYC8Wof |
| Name |
(+,-)-trans-3-(1,3-benzodioxol-5-yl)-3,4-dihydro-4-(2,2-dimethoxyethyl)-2-methyl-1(2H)-isoquinolone |
| CAS Registry Number |
113975-94-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23NO5 |
| InChI |
InChI=1S/C21H23NO5/c1-22-20(13-8-9-17-18(10-13)27-12-26-17)16(11-19(24-2)25-3)14-6-4-5-7-15(14)21(22)23/h4-10,16,19-20H,11-12H2,1-3H3/t16-,20+/m0/s1 |
| InChIKey |
LLRXXUMQUPDROM-OXJNMPFZSA-N |
| Molecular Weight |
369.417 g/mol |
| SMILES |
C1(N([C@@]([C@](c2ccccc12)(CC(OC)OC)[H])(c1cc2OCOc2cc1)[H])C)=O |
| SPLASH |
splash10-004i-1091000000-5332ca78ec6766102c44 |
| Source of Spectrum |
J-53-2379-4 |
| Synonyms |
(3S,4S)-3-(1,3-benzodioxol-5-yl)-4-(2,2-dimethoxyethyl)-2-methyl-3,4-dihydro-1(2H)-isoquinolinone |
| Wiley ID |
1353726 |
