| SpectraBase Spectrum ID |
23QAQ3Hg7OW |
| Name |
1,4-Butanediol |
| CAS Registry Number |
110-63-4 |
| Classification |
Softener, designer drug, GHB precursor |
| 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/c5-3-1-2-4-6/h5-6H,1-4H2 |
| InChIKey |
WERYXYBDKMZEQL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
90.122 g/mol |
| Nominal Mass |
90 u |
| Quality |
932 |
| Retention Index |
980 |
| SMILES |
OCCCCO |
| SPLASH |
splash10-0006-9000000000-ca4075e85b182f1573ee |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
BDO
butane-1,4-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007563 |
