| SpectraBase Spectrum ID |
JGuK0OBbMXY |
| Name |
Benzocaine |
| CAS Registry Number |
94-09-7 |
| Classification |
Pharmaceutical drug, local anesthetic |
| Comments |
Spectrum verified by crosschecking against external libraries (five 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 |
165.078978596 u |
| Formula |
C9H11NO2 |
| InChI |
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 |
| InChIKey |
BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
165.192 g/mol |
| Nominal Mass |
165 u |
| Quality |
991 |
| Retention Index |
1537 |
| SMILES |
NC1=CC=C(C(OCC)=O)C=C1 |
| SPLASH |
splash10-00di-3900000000-3da0f6ec7a23c0267771 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Anaesthesinum
Benzocain
Ethoform
Norcainum
Ethyl-4-amino benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006978 |
