| SpectraBase Spectrum ID |
3ril4hEIaA5 |
| Name |
Isobutanol |
| CAS Registry Number |
78-83-1 |
| 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 |
74.073164941 u |
| Formula |
C4H10O |
| InChI |
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| InChIKey |
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
74.123 g/mol |
| Nominal Mass |
74 u |
| Quality |
632 |
| Retention Index |
493 |
| SMILES |
OCC(C)C |
| SPLASH |
splash10-000x-9000000000-23a8cddd2a935e96bb26 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isobutyl alcohol
Isopropylcarbinol
2-methylpropan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022267 |
