| SpectraBase Spectrum ID |
Dmib33jMqsS |
| Name |
1-Naphthalenecarboxylic acid ethyl ester |
| CAS Registry Number |
3007-97-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
200.083729624 u |
| Formula |
C13H12O2 |
| InChI |
InChI=1S/C13H12O2/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3 |
| InChIKey |
XCTLDQQOHIEUCJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
200.237 g/mol |
| Nominal Mass |
200 u |
| Quality |
998 |
| Retention Index |
1787 |
| SMILES |
C=12C(C(OCC)=O)=CC=CC2=CC=CC1 |
| SPLASH |
splash10-0pdi-2920000000-68fc72194fa590b981d6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethyl 1-naphthoate
1-Naphthoic acid ethyl ester
Ethyl-naphthalene-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022290 |
