| SpectraBase Spectrum ID |
EhLD5btx4o6 |
| Name |
1,3-Pentadiene-1,5-diol, 1-benzoate 5-(phenylcarbamate), (E,E)- |
| Alternate Name(s) |
(1E,3E)-5-[(anilinocarbonyl)oxy]-1,3-pentadienyl benzoate
1-(benzoyloxy)-5-(carbaniloyloxy)-1(E),3(E)-pentadiene |
| CAS Registry Number |
114132-99-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H17NO4 |
| InChI |
InChI=1S/C19H17NO4/c21-18(16-10-4-1-5-11-16)23-14-8-3-9-15-24-19(22)20-17-12-6-2-7-13-17/h1-14H,15H2,(H,20,22)/b9-3+,14-8+ |
| InChIKey |
ACCBFQIIXVLZSO-RVPDKONISA-N |
| Molecular Weight |
323.348 g/mol |
| SMILES |
N(C(=O)OC\C=C\C=C\OC(=O)c1ccccc1)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-9bb186f9e31ea829d31e |
| Source of Spectrum |
J-53-1870-33 |
| Wiley ID |
1322500 |
