| SpectraBase Spectrum ID |
JH83jhU7DFY |
| Name |
3-alpha-(Isovaleroyloxy)tropane |
| CAS Registry Number |
38753-87-6 |
| Classification |
Drug precursor 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 |
225.172878983 u |
| Formula |
C13H23NO2 |
| InChI |
InChI=1S/C13H23NO2/c1-9(2)6-13(15)16-12-7-10-4-5-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t10-,11+,12+ |
| InChIKey |
LXKKOLHRNROBTR-GDNZZTSVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
225.332 g/mol |
| Nominal Mass |
225 u |
| Quality |
998 |
| Retention Index |
1558 |
| SMILES |
[C@]12(N([C@](C[C@](C2)(OC(CC(C)C)=O)[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-00e9-9700000000-18604535b8658eed067f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-Methyl-8-azabicyclo[3.2.1]octan-3-yl isovalerate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018857 |
