| SpectraBase Spectrum ID |
K0JDQnJjz5e |
| Name |
(3R*,4R*)-Ethyl 3-benzyl-6-chloro-2-oxo-4-phenylchroman-3-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.112836852 u |
| Formula |
C25H21ClO4 |
| GC Column |
HP1 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C25H21ClO4/c1-2-29-23(27)25(16-17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)20-15-19(26)13-14-21(20)30-24(25)28/h3-15,22H,2,16H2,1H3/t22-,25-/m1/s1 |
| InChIKey |
QQEFZDUXJAHJOY-RCZVLFRGSA-N |
| Instrument Name |
HP 5995C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.877 |
| Molecular Weight |
420.892 g/mol |
| Quality |
105 |
| Reported Formula |
C25H21ClO4 |
| SMILES |
C=1(C=CC=2OC(=O)[C@@](CC3=CC=CC=C3)(C(OCC)=O)[C@](C=3C=CC=CC3)(C2C1)[H])Cl |
| SPLASH |
splash10-0gc3-2090000000-53fed60199d09aeda4cb |
| Sample Comments |
dr 89:11 |
| Source of Spectrum |
ARK-2023-59-8g (DOI: 10.24820/ark.5550190.p011.877) |
| Wiley ID |
1911242 |
