| SpectraBase Spectrum ID |
AzT54Hx0Hcv |
| Name |
Methyl (2E,3E)-2-(2-hydroxycyclopentylidene)-4-phenylbut-3-enoate |
| Appearance |
Pale brown oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.125594437 u |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-19-16(18)14(13-8-5-9-15(13)17)11-10-12-6-3-2-4-7-12/h2-4,6-7,10-11,15,17H,5,8-9H2,1H3/b11-10+,14-13+ |
| InChIKey |
ZOQJCFRDJPYAKD-IWCZYTNJSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202203068 |
| Molecular Weight |
258.317 g/mol |
| Quality |
12 |
| Reported Formula |
C16H18O3 |
| SMILES |
OC1\C(=C\(C(=O)OC)\C=C\C2=CC=CC=C2)CCC1 |
| SPLASH |
splash10-00dl-0970000000-759f7820236dc7cbaa29 |
| Source of Spectrum |
QE-29-SM62-18 (DOI: 10.1002/chem.202203068) |
| Thin-Layer Chromatography |
0.50 (33% EtOAc/hexane) |
| Wiley ID |
1909435 |
