| SpectraBase Spectrum ID |
JHDYHujHiiW |
| Name |
Phenylacetoxytropane |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
259.157228918 u |
| Formula |
C16H21NO2 |
| InChI |
InChI=1S/C16H21NO2/c1-17-13-7-8-14(17)11-15(10-13)19-16(18)9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3/t13-,14+,15- |
| InChIKey |
DCINQANYMBYYCH-QDMKHBRRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
259.349 g/mol |
| Nominal Mass |
259 u |
| Quality |
793 |
| Retention Index |
2059 |
| SMILES |
[C@]1(C[C@@]2(N([C@](C1)(CC2)[H])C)[H])(OC(CC=1C=CC=CC1)=O)[H] |
| SPLASH |
splash10-00di-6910000000-ac49bb276fcc3d3a9479 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-methyl-8-azabicyclo[3.2.1]oct-3-yl phenylacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029838 |
