| SpectraBase Spectrum ID |
JHUI6J3vz28 |
| Name |
Atropine AC |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
331.178358285 u |
| Formula |
C19H25NO4 |
| InChI |
InChI=1S/C19H25NO4/c1-13(21)23-12-18(14-6-4-3-5-7-14)19(22)24-17-10-15-8-9-16(11-17)20(15)2/h3-7,15-18H,8-12H2,1-2H3/t15-,16+,17+,18? |
| InChIKey |
FFTQFHULPHYOIS-KCUXLOIUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
331.412 g/mol |
| Nominal Mass |
331 u |
| Quality |
927 |
| Retention Index |
2565 |
| SMILES |
[C@]1(C[C@@]2(N([C@](C1)(CC2)[H])C)[H])(OC(C(C=1C=CC=CC1)COC(=O)C)=O)[H] |
| SPLASH |
splash10-00di-5900000000-71698dd7f3c33a1cefdd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-(acetyloxy)-2-phenyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000186 |
