| SpectraBase Spectrum ID |
4xfghFAyAvH |
| Name |
(3R*,4R*)-Ethyl 3-benzyl-6-chloro-4-ethyl-2-oxochroman-3-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.112836852 u |
| Formula |
C21H21ClO4 |
| GC Column |
HP1 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C21H21ClO4/c1-3-17-16-12-15(22)10-11-18(16)26-20(24)21(17,19(23)25-4-2)13-14-8-6-5-7-9-14/h5-12,17H,3-4,13H2,1-2H3/t17-,21-/m1/s1 |
| InChIKey |
SWHHMCKXXXYFPX-DYESRHJHSA-N |
| Instrument Name |
HP 5995C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.877 |
| Molecular Weight |
372.848 g/mol |
| Quality |
112 |
| Reported Formula |
C21H21ClO4 |
| SMILES |
C1(Cl)=CC2=C(OC([C@@]([C@@]2(CC)[H])(CC=2C=CC=CC2)C(=O)OCC)=O)C=C1 |
| SPLASH |
splash10-0006-9241000000-22a1b1ce60a638ebc54f |
| Sample Comments |
dr 90:10 |
| Source of Spectrum |
ARK-2023-57-8a (DOI: 10.24820/ark.5550190.p011.877) |
| Wiley ID |
1911236 |
