| SpectraBase Spectrum ID |
Bmd0GXYlzmb |
| Name |
(3R*,4S*)-Ethyl 3-benzoyl-6-chloro-4-methyl-2-oxochroman-3-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.076451342 u |
| Formula |
C20H17ClO5 |
| GC Column |
HP1 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C20H17ClO5/c1-3-25-18(23)20(17(22)13-7-5-4-6-8-13)12(2)15-11-14(21)9-10-16(15)26-19(20)24/h4-12H,3H2,1-2H3/t12-,20+/m0/s1 |
| InChIKey |
HTIYQXKUTKMWSF-FKIZINRSSA-N |
| Instrument Name |
HP 5995C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.877 |
| Molecular Weight |
372.804 g/mol |
| Quality |
79 |
| Reported Formula |
C20H17ClO5 |
| SMILES |
C=1(C=CC=2OC(=O)[C@](C(C3=CC=CC=C3)=O)(C(OCC)=O)[C@@](C)(C2C1)[H])Cl |
| SPLASH |
splash10-0a4i-3910000000-211c0d202f6c3daa7cc6 |
| Sample Comments |
dr 90:10 |
| Source of Spectrum |
ARK-2023-58-8c (DOI: 10.24820/ark.5550190.p011.877) |
| Wiley ID |
1911238 |
