| SpectraBase Spectrum ID |
8Jjezv4rpMe |
| Name |
1,3-Butandiol 2AC |
| CAS Registry Number |
1117-31-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
174.089208927 u |
| Formula |
C8H14O4 |
| InChI |
InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3 |
| InChIKey |
MPAGVACEWQNVQO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
174.196 g/mol |
| Nominal Mass |
174 u |
| Quality |
924 |
| Retention Index |
1196 |
| SMILES |
C(OC(=O)C)(CCOC(=O)C)C |
| SPLASH |
splash10-0006-9000000000-c547118f3c0f56755aec |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butane-1,3-diyl diacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013333 |
