| SpectraBase Spectrum ID |
5YGlpoDGxiS |
| Name |
Acetylthebaol |
| Classification |
Heroin impurity |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
296.104858991 u |
| Formula |
C18H16O4 |
| InChI |
InChI=1S/C18H16O4/c1-11(19)22-18-16(21-3)9-7-13-5-4-12-6-8-14(20-2)10-15(12)17(13)18/h4-10H,1-3H3 |
| InChIKey |
RIUJHBDYSWDQNC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
296.322 g/mol |
| Nominal Mass |
296 u |
| Quality |
997 |
| Retention Index |
2230 |
| SMILES |
C1=2C3=C(C=CC2C=CC(=C1OC(=O)C)OC)C=CC(=C3)OC |
| SPLASH |
splash10-0udr-1490000000-290539b3dc042d85d725 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,6-dimethoxyphenanthren-4-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008294 |
