| SpectraBase Spectrum ID |
2lMOK4T7w8G |
| Name |
WS-3 |
| CAS Registry Number |
39711-79-0 |
| Classification |
Cooling agent |
| 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 |
211.193614428 u |
| Formula |
C13H25NO |
| InChI |
InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15) |
| InChIKey |
VUNOFAIHSALQQH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
211.349 g/mol |
| Nominal Mass |
211 u |
| Quality |
993 |
| Retention Index |
1582 |
| SMILES |
C1(C(C(C)C)CCC(C1)C)C(NCC)=O |
| SPLASH |
splash10-0udr-9610000000-ee8463c30b7d63f9d676 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethylmenthancarboxamid
FEMA
N-ethyl-2-isopropyl-5-methylcyclohexane-1-carboxamid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031026 |
