| SpectraBase Spectrum ID |
5jQXDpbCYJR |
| Name |
methyl (2E,4E)-5-cyclopropyl-4-(2-hydroxyphenyl)hexa-2,4-dienoate |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.125594437 u |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-11(12-7-8-12)13(9-10-16(18)19-2)14-5-3-4-6-15(14)17/h3-6,9-10,12,17H,7-8H2,1-2H3/b10-9+,13-11+ |
| InChIKey |
IOPIDRYZZRHAGW-SNMPHBPQSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201604531 |
| Molecular Weight |
258.317 g/mol |
| Quality |
519 |
| Reported Formula |
C16H18O3 |
| SMILES |
OC=1C=CC=CC1\C(\C=C\C(OC)=O)=C\(C1CC1)C |
| SPLASH |
splash10-0arr-6920000000-827f2fb52172edbd08f5 |
| Sample Comments |
E/Z = 99:1 |
| Source of Spectrum |
ACI-55-SM12-Compound 3c (DOI: 10.1002/anie.201604531) |
| Wiley ID |
1899199 |
