| SpectraBase Spectrum ID |
5H8ovXbXtHL |
| Name |
Acetate |
| Source of Sample |
SAFC Cat.no. W506605 |
| CAS Registry Number |
38768-63-7 |
| 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 |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3 |
| InChIKey |
BUKHBVPVKOXGSO-UHFFFAOYSA-N |
| Molecular Weight |
180.203 g/mol |
| Number of Peaks |
50 |
| RI1 |
1407 |
| RI2 |
1086 |
| RI3 |
1497 |
| RI4 |
1455 |
| SMILES |
c1c(ccc(c1)C)OCC(OC)=O |
| SPLASH |
splash10-007o-9600000000-fc5de498e9f100643f9c |
| 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 |
Acetic acid, (4-methylphenoxy)-, methyl ester |
| Wiley ID |
LM_FFNSC3_619 |
