| SpectraBase Spectrum ID |
8XlBU0TcTDx |
| Name |
(3R*,4R*)-Ethyl 3-benzyl-6-chloro-2-oxo-4-(thiophen-2-yl)chroman-3-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.069257962 u |
| Formula |
C23H19ClO4S |
| GC Column |
HP1 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C23H19ClO4S/c1-2-27-21(25)23(14-15-7-4-3-5-8-15)20(19-9-6-12-29-19)17-13-16(24)10-11-18(17)28-22(23)26/h3-13,20H,2,14H2,1H3/t20-,23+/m0/s1 |
| InChIKey |
YVEYIFZPCZLLHN-NZQKXSOJSA-N |
| Instrument Name |
HP 5995C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.877 |
| Molecular Weight |
426.914 g/mol |
| Quality |
110 |
| Reported Formula |
C23H19ClO4S |
| SMILES |
C1(Cl)=CC2=C(OC([C@]([C@@]2(C=2SC=CC2)[H])(C(=O)OCC)CC=2C=CC=CC2)=O)C=C1 |
| SPLASH |
splash10-00dr-2091000000-3f5fbe24c18a2dd2e1a6 |
| Sample Comments |
dr 89:11 |
| Source of Spectrum |
ARK-2023-59-8h (DOI: 10.24820/ark.5550190.p011.877) |
| Wiley ID |
1911243 |
