| SpectraBase Spectrum ID |
16SoqUVURhg |
| Name |
Benzoic acid <2-[[[4-(4-hydroxy-4-methylpentyl)-, 3-cyclohexen-1-yl]methylene]amino]-, methyl-> ester |
| CAS Registry Number |
67634-12-2 |
| 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 |
343.214743795 u |
| Formula |
C21H29NO3 |
| InChI |
InChI=1S/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,17,24H,6-7,11-14H2,1-3H3/b22-15+ |
| InChIKey |
HNLBOCGUTPSUHX-PXLXIMEGSA-N |
| Molecular Weight |
343.467 g/mol |
| Number of Peaks |
50 |
| RI1 |
1589 |
| RI2 |
1267 |
| RI3 |
1735 |
| RI4 |
1698 |
| SMILES |
OC(CCCC1=CCC(\C=N\c2c(cccc2)C(OC)=O)CC1)(C)C |
| SPLASH |
splash10-0002-2900000000-088ec822be26e93954a0 |
| 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-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]-, methyl ester |
| Wiley ID |
LM_FFNSC3_1318 |
![Benzoic acid <2-[[[4-(4-hydroxy-4-methylpentyl)-, 3-cyclohexen-1-yl]methylene]amino]-, methyl-> ester](/api/spectrum/16SoqUVURhg/structure.png?h=300&w=458 "Benzoic acid <2-[[[4-(4-hydroxy-4-methylpentyl)-, 3-cyclohexen-1-yl]methylene]amino]-, methyl-> ester")
