| SpectraBase Spectrum ID |
CZt0lERCZsi |
| Name |
Guaiafenolo |
| CAS Registry Number |
4112-89-4 |
| 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 |
242.094294308 u |
| Formula |
C15H14O3 |
| InChI |
InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChIKey |
KNVYLIIBQXVDKC-UHFFFAOYSA-N |
| Molecular Weight |
242.274 g/mol |
| Number of Peaks |
50 |
| RI1 |
1919 |
| RI2 |
1594 |
| RI5 |
1871 |
| SMILES |
c1(ccccc1)CC(=O)Oc1c(cccc1)OC |
| SPLASH |
splash10-00dl-7900000000-f486a342404b7f5d196b |
| 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 |
Benzeneacetic acid, 2-methoxyphenyl ester |
| Wiley ID |
LM_FFNSC3_3172 |
