| SpectraBase Spectrum ID |
JG24TlOtQlE |
| Name |
Homatropine |
| CAS Registry Number |
87-00-3 |
| Classification |
Pharmaceutical drug, anticholinergic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14-,15? |
| InChIKey |
ZTVIKZXZYLEVOL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
275.348 g/mol |
| Nominal Mass |
275 u |
| Quality |
952 |
| Retention Index |
2153 |
| SMILES |
OC(C(O[C@]1(C[C@]2(N([C@@](C1)(CC2)[H])C)[H])[H])=O)C=1C=CC=CC1 |
| SPLASH |
splash10-00di-9810000000-41afdc665e71d8feb67e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ylhydroxy(phenyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023077 |
![8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate](/api/spectrum/JG24TlOtQlE/structure.png?h=300&w=458 "8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate")
