| SpectraBase Spectrum ID |
LHt6axdM46c |
| Name |
1,3-Butanediol |
| CAS Registry Number |
107-88-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 |
| InChIKey |
PUPZLCDOIYMWBV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
90.122 g/mol |
| Nominal Mass |
90 u |
| Quality |
930 |
| Retention Index |
845 |
| SMILES |
OC(CCO)C |
| SPLASH |
splash10-0007-9000000000-c577a5609e0afa83c80d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000384 |
