| SpectraBase Spectrum ID |
A7W1SzQHZ1t |
| Name |
1,2-Cyclopentanedione |
| CAS Registry Number |
3008-40-0 |
| 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 |
98.036779431 u |
| Formula |
C5H6O2 |
| InChI |
InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-3H2 |
| InChIKey |
CIISBNCSMVCNIP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
98.101 g/mol |
| Nominal Mass |
98 u |
| Quality |
998 |
| Retention Index |
707 |
| SMILES |
C1(C(CCC1)=O)=O |
| SPLASH |
splash10-052e-9000000000-c14d893d94121636eb25 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019248 |
