| SpectraBase Spectrum ID |
JUm12bC8oSn |
| Name |
Verdantiol isomer I |
| CAS Registry Number |
91-51-0 |
| 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 |
337.204179111 u |
| Formula |
C22H27NO2 |
| InChI |
InChI=1S/C22H27NO2/c1-16(14-17-10-12-18(13-11-17)22(2,3)4)15-23-20-9-7-6-8-19(20)21(24)25-5/h6-13,15-16H,14H2,1-5H3/b23-15+ |
| InChIKey |
RBAUBIIMPLZNGC-HZHRSRAPSA-N |
| Molecular Weight |
337.463 g/mol |
| Number of Peaks |
50 |
| RI1 |
2619 |
| RI2 |
2291 |
| RI3 |
2862 |
| RI4 |
2839 |
| RI5 |
2574 |
| SMILES |
COC(c1c(cccc1)\N=C\C(Cc1ccc(cc1)C(C)(C)C)C)=O |
| SPLASH |
splash10-052s-2914000000-3ea761eceebec348682f |
| 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-(1,1-dimethylethyl)phenyl]-2-methylpropylidene]amino]-, methyl ester |
| Wiley ID |
LM_FFNSC3_3202 |
