| SpectraBase Spectrum ID |
D3IdonMWCRS |
| Name |
1-Benzyl-4-chloro-N-methoxy-3-oxo-1,3-dihydroisobenzofuran-1-carboxamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.061135631 u |
| Formula |
C17H14ClNO4 |
| InChI |
InChI=1S/C17H14ClNO4/c1-22-19-16(21)17(10-11-6-3-2-4-7-11)12-8-5-9-13(18)14(12)15(20)23-17/h2-9H,10H2,1H3,(H,19,21) |
| InChIKey |
VSLLIPYFTZZOQY-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
331.755 g/mol |
| Quality |
22 |
| Reported Formula |
C17H14ClNO4 |
| SMILES |
N(C(C1(CC2=CC=CC=C2)OC(C2=C1C=CC=C2Cl)=O)=O)OC |
| SPLASH |
splash10-0006-9850000000-6efcdecd209e61fc81f6 |
| Source of Spectrum |
ACI-56-SM60-13a (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.6 (DCM/Acetone, 40:1) |
| Wiley ID |
1896638 |
