| SpectraBase Spectrum ID |
3DSkuWQAAPt |
| Name |
Formate |
| Source of Sample |
SAFC Cat.no. W206903 |
| CAS Registry Number |
110-45-2 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey |
XKYICAQFSCFURC-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
46 |
| RI1 |
791 |
| RI2 |
448 |
| RI3 |
461 |
| RI4 |
423 |
| RI5 |
773 |
| SMILES |
CC(CCOC=O)C |
| SPLASH |
splash10-0596-9000000000-50ef7da5cb0fc8b2ed15 |
| 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-Butanol, 3-methyl-, formate |
| Wiley ID |
LM_FFNSC3_529 |
