| SpectraBase Spectrum ID |
ms5O4oJQyT |
| Name |
Propoxyphene-A I |
| CAS Registry Number |
1726-14-3 |
| 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 |
208.125200515 u |
| Formula |
C16H16 |
| InChI |
InChI=1S/C16H16/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-13H,2H2,1H3 |
| InChIKey |
FKDKAGHZAOFATR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.304 g/mol |
| Nominal Mass |
208 u |
| Quality |
921 |
| Retention Index |
1616 |
| SMILES |
C(C=1C=CC=CC1)(C1=CC=CC=C1)=CCC |
| SPLASH |
splash10-0693-2920000000-b358f022144fc12937c7 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzene,1,1'-(1-butenylidene)bis |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011806 |
