| SpectraBase Spectrum ID |
DmNBoFMXaGO |
| Name |
Propofol |
| CAS Registry Number |
2078-54-8 |
| Classification |
Pharmaceutical drug, 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 |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 |
| InChIKey |
OLBCVFGFOZPWHH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.275 g/mol |
| Nominal Mass |
178 u |
| Quality |
993 |
| Retention Index |
1294 |
| SMILES |
OC1=C(C(C)C)C=CC=C1C(C)C |
| SPLASH |
splash10-03di-3900000000-38d0660890e439357602 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,4-Bis(1-methylethyl)phenol
2,6-Dipropan-2-ylphenol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024566 |
