| SpectraBase Spectrum ID |
FPf9LnImP17 |
| Name |
Ethyl 1-benzyl-4-chloro-3-oxo-1,3-dihydroisobenzofuran-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15ClO4 |
| InChI |
InChI=1S/C18H15ClO4/c1-2-22-17(21)18(11-12-7-4-3-5-8-12)13-9-6-10-14(19)15(13)16(20)23-18/h3-10H,2,11H2,1H3 |
| InChIKey |
ICQRPHIRVQSLTK-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
330.767 g/mol |
| Quality |
130 |
| Reported Formula |
C18H15ClO4 |
| SMILES |
C1(OC(C2=C1C=CC=C2Cl)=O)(CC1=CC=CC=C1)C(OCC)=O |
| SPLASH |
splash10-000x-7901000000-e8a235c1ee78bbee67d2 |
| Source of Spectrum |
ACI-56-SM62-13c (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.5 (DCM/acetone, 200:1) |
| Wiley ID |
1896640 |
