| SpectraBase Spectrum ID |
JGWwbwo1TtY |
| Name |
Narceine |
| CAS Registry Number |
131-28-2 |
| Classification |
Pharmaceutical drug, spasmolytic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
445.173666825 u |
| Formula |
C23H27NO8 |
| InChI |
InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27) |
| InChIKey |
DEXMFYZAHXMZNM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
445.468 g/mol |
| Nominal Mass |
445 u |
| Quality |
998 |
| Retention Index |
3334 |
| SMILES |
OC(C=1C(C(CC2=C(C3=C(C=C2CCN(C)C)OCO3)OC)=O)=CC=C(C1OC)OC)=O |
| SPLASH |
splash10-0a4i-9010000000-8a179d246b7da8d3edc2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-[2-[6-(2-Dimethylaminoethyl)-4-methoxy-benzo[1,3]dioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003166 |
![Benzoic acid, 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-](/api/spectrum/JGWwbwo1TtY/structure.png?h=300&w=458 "Benzoic acid, 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-")
