| SpectraBase Spectrum ID |
2o9lg5MzB44 |
| Name |
Naphthalen-1-yl acetate |
| CAS Registry Number |
830-81-9 |
| Classification |
Pharmaceutical drug metabolite |
| 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 |
186.068079560 u |
| Formula |
C12H10O2 |
| InChI |
InChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3 |
| InChIKey |
VGKONPUVOVVNSU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
186.210 g/mol |
| Nominal Mass |
186 u |
| Quality |
969 |
| Retention Index |
1401 |
| SMILES |
C=12C(C=CC=C2OC(=O)C)=CC=CC1 |
| SPLASH |
splash10-00kf-3900000000-32933064e1e45345e96f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Acetoxynaphthalene
Duloxetine-M AC
1-Naphthalenol acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024568 |
