| SpectraBase Spectrum ID |
JI4wjgZwmn2 |
| Name |
Narceine-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
427.163102142 u |
| Formula |
C23H25NO7 |
| InChI |
InChI=1S/C23H25NO7/c1-24(2)9-8-13-10-18-22(30-12-29-18)20(27-4)15(13)11-17-14-6-7-16(26-3)21(28-5)19(14)23(25)31-17/h6-7,10-11H,8-9,12H2,1-5H3/b17-11- |
| InChIKey |
RWNUTBFTGMUOOE-BOPFTXTBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
427.453 g/mol |
| Nominal Mass |
427 u |
| Quality |
963 |
| Retention Index |
3255 |
| SMILES |
C=12C(\C(=C\C3=C(C4=C(C=C3CCN(C)C)OCO4)OC)OC2=O)=CC=C(C1OC)OC |
| SPLASH |
splash10-0a4i-9110000000-8c138531d6c80bcf39ed |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-[2-[6-(2-Dimethylaminoethyl)-4-methoxy-benzo[1,3]dioxol-5-yl]acetyl]-2,3- \rdimethoxy-benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009710 |
