| SpectraBase Spectrum ID |
BcB65gvkSIs |
| Name |
Cyclohexane-1,2-dione <3-methyl-> |
| Source of Sample |
SAFC Cat.no. W330507 |
| CAS Registry Number |
3008-43-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
126.068079560 u |
| Formula |
C7H10O2 |
| InChI |
InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3 |
| InChIKey |
JDXJKLGWPNXSHL-UHFFFAOYSA-N |
| Molecular Weight |
126.155 g/mol |
| Number of Peaks |
50 |
| RI1 |
1089 |
| RI2 |
763 |
| RI3 |
1058 |
| RI4 |
1012 |
| SMILES |
C1(C(C(CCC1)C)=O)=O |
| SPLASH |
splash10-0036-9200000000-1e358049398ef4cf2e1c |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1,2-Cyclohexanedione, 3-methyl- |
| Wiley ID |
LM_FFNSC3_672 |
