SpectraBase Spectrum ID |
AZor6T0lhn7 |
Name |
Octocrylene |
CAS Registry Number |
6197-30-4 |
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 |
361.204179111 u |
Formula |
C24H27NO2 |
InChI |
InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3 |
InChIKey |
FMJSMJQBSVNSBF-UHFFFAOYSA-N |
Molecular Weight |
361.485 g/mol |
Number of Peaks |
50 |
RI1 |
2658 |
RI2 |
2330 |
RI3 |
3239 |
RI4 |
3219 |
RI5 |
2619 |
SMILES |
C(#N)C(C(=O)OCC(CCCC)CC)=C(c1ccccc1)c1ccccc1 |
SPLASH |
splash10-0udj-5390000000-74e8fe356a9bd83869a8 |
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 |
2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester |
Wiley ID |
LM_FFNSC3_3268 |