| SpectraBase Spectrum ID |
5YuZuzkULWS |
| Name |
Levoglucosenone |
| CAS Registry Number |
37112-31-5 |
| Classification |
Educt for various classes of rare sugars |
| 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 |
126.031694050 u |
| Formula |
C6H6O3 |
| InChI |
InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6-/m0/s1 |
| InChIKey |
HITOXZPZGPXYHY-NJGYIYPDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
126.111 g/mol |
| Nominal Mass |
126 u |
| Quality |
916 |
| Retention Index |
983 |
| SMILES |
[C@]12(O[C@@](C(C=C2)=O)(OC1)[H])[H] |
| SPLASH |
splash10-0005-9000000000-877404f21091128c2109 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006544 |
