| SpectraBase Spectrum ID |
5WtOxObrhWi |
| Name |
Isopropyl 1-naphthoate |
| CAS Registry Number |
951-19-9 |
| Classification |
Designer drug side product |
| 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 |
214.099379689 u |
| Formula |
C14H14O2 |
| InChI |
InChI=1S/C14H14O2/c1-10(2)16-14(15)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3 |
| InChIKey |
AGTBCWRZVYHRTC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
214.264 g/mol |
| Nominal Mass |
214 u |
| Quality |
999 |
| Retention Index |
1732 |
| SMILES |
C=12C(C(OC(C)C)=O)=CC=CC2=CC=CC1 |
| SPLASH |
splash10-0c29-1910000000-40db37ecb2048e256e13 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isopropylnaphthalene-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022292 |
