| SpectraBase Spectrum ID |
2ZGfqhSpdo |
| Name |
tert-butyl 7-(1,3-benzodioxol-5-yl)-3-oxo-hept-6-en-4-ynoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-18(2,3)23-17(20)11-14(19)7-5-4-6-13-8-9-15-16(10-13)22-12-21-15/h4,6,8-10H,11-12H2,1-3H3 |
| InChIKey |
BJNDUXVQONMDRJ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503403 |
| Molecular Weight |
314.337 g/mol |
| Quality |
410 |
| Reported Formula |
C18H18O5 |
| SMILES |
C12=CC(=CC=C2OCO1)C=CC#CC(=O)CC(OC(C)(C)C)=O |
| SPLASH |
splash10-0a4j-5951000000-f1711d9a9c0e25ee7f30 |
| Source of Spectrum |
QE-22-SM17-22 (DOI: 10.1002/chem.201503403) |
| Wiley ID |
1902908 |
