SpectraBase Spectrum ID |
JGeODxnDlqa |
Name |
Isopropylidenglycerine |
CAS Registry Number |
100-79-8 |
Classification |
Protected synthon |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
132.078644243 u |
Formula |
C6H12O3 |
InChI |
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3 |
InChIKey |
RNVYQYLELCKWAN-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
132.159 g/mol |
Nominal Mass |
132 u |
Quality |
996 |
Retention Index |
940 |
SMILES |
OCC1OC(OC1)(C)C |
SPLASH |
splash10-0006-9100000000-51fe0aa515e25d254509 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1,3-Dioxolane-4-methanol,2,2-dimethyl
(2,2-Dimethyl-1,3-dioxolan-4-yl)methanol |
Technique |
GC/MS |
Wiley ID |
DD2024_030560 |