| SpectraBase Spectrum ID |
JIgRp80jjQe |
| Name |
2,3-Butanediol |
| CAS Registry Number |
513-85-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
90.068079560 u |
| Formula |
C4H10O2 |
| InChI |
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 |
| InChIKey |
OWBTYPJTUOEWEK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
90.122 g/mol |
| Nominal Mass |
90 u |
| Quality |
984 |
| Retention Index |
602 |
| SMILES |
OC(C(O)C)C |
| SPLASH |
splash10-0002-9000000000-e23c107e42b4d29b7e8e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000385 |
