| SpectraBase Spectrum ID |
2khXIWN2qqu |
| Name |
Tropacocaine |
| CAS Registry Number |
537-26-8 |
| Classification |
Pharmaceutical drug, local anesthetic |
| Comments |
Spectrum verified by crosschecking against external libraries (four 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 |
245.141578854 u |
| Formula |
C15H19NO2 |
| InChI |
InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14- |
| InChIKey |
XQJMXPAEFMWDOZ-BTTYYORXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
245.322 g/mol |
| Nominal Mass |
245 u |
| Quality |
995 |
| Retention Index |
1950 |
| SMILES |
[C@]1(C[C@@]2(N([C@](C1)(CC2)[H])C)[H])(OC(C=1C=CC=CC1)=O)[H] |
| SPLASH |
splash10-00e9-9600000000-a756f53672232b43ca50 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoyl-pseudotropein
(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl) benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004213 |
