| SpectraBase Spectrum ID |
5XLmXX4ij9U |
| Name |
Isopentanol |
| CAS Registry Number |
123-51-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
88.088815005 u |
| Formula |
C5H12O |
| InChI |
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey |
PHTQWCKDNZKARW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
88.150 g/mol |
| Nominal Mass |
88 u |
| Quality |
961 |
| Retention Index |
593 |
| SMILES |
OCCC(C)C |
| SPLASH |
splash10-0a4l-9000000000-976b98666fdedbe09cb1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isopentyl alcohol
3-Methylbutanol
3-Methylbutan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006988 |
