| SpectraBase Spectrum ID |
4YYH3MrI8SD |
| Name |
Benzoic acid, 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]-, methyl ester isomer I |
| CAS Registry Number |
111753-62-9 |
| 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 |
311.152143537 u |
| Formula |
C19H21NO3 |
| InChI |
InChI=1S/C19H21NO3/c1-14(12-15-8-10-16(22-2)11-9-15)13-20-18-7-5-4-6-17(18)19(21)23-3/h4-11,13-14H,12H2,1-3H3/b20-13+ |
| InChIKey |
DCVGBQPSFNIPPI-DEDYPNTBSA-N |
| Molecular Weight |
311.381 g/mol |
| Number of Peaks |
50 |
| RI1 |
2580 |
| RI2 |
2253 |
| RI5 |
2621 |
| SMILES |
COc1ccc(cc1)CC(\C=N\c1c(C(=O)OC)cccc1)C |
| SPLASH |
splash10-03di-1912000000-d2adec7ed1b1decd1e15 |
| 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 |
Benzoic acid, 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]-, methyl ester |
| Wiley ID |
LM_FFNSC3_3235 |
![Benzoic acid, 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]-, methyl ester isomer II](/api/spectrum/4YYH3MrI8SD/structure.png?h=300&w=458 "Benzoic acid, 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]-, methyl ester isomer II")
