| SpectraBase Spectrum ID |
4KqZIFfJBPw |
| Name |
Methyl 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. |
| Exact Mass |
316.050236595 u |
| Formula |
C17H13ClO4 |
| InChI |
InChI=1S/C17H13ClO4/c1-21-16(20)17(10-11-6-3-2-4-7-11)12-8-5-9-13(18)14(12)15(19)22-17/h2-9H,10H2,1H3 |
| InChIKey |
CULKQNPGXQBSDR-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
316.740 g/mol |
| Quality |
113 |
| Reported Formula |
C17H13ClO4 |
| SMILES |
C1(OC(C2=C1C=CC=C2Cl)=O)(CC1=CC=CC=C1)C(OC)=O |
| SPLASH |
splash10-0007-9502000000-1e0a608c43d2cfb3f7cb |
| Source of Spectrum |
ACI-56-SM61-13b (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.5 (pentane/EtOAc, 5:1) |
| Wiley ID |
1896639 |
