| SpectraBase Spectrum ID |
8znRx672WeD |
| Name |
(3R*,4R*)-Ethyl 3-benzyl-6-iodo-4-methyl-2-oxochroman-3 carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.032804088 u |
| Formula |
C20H19IO4 |
| GC Column |
HP1 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C20H19IO4/c1-3-24-18(22)20(12-14-7-5-4-6-8-14)13(2)16-11-15(21)9-10-17(16)25-19(20)23/h4-11,13H,3,12H2,1-2H3/t13-,20-/m1/s1 |
| InChIKey |
JJKRJHJDYODMIJ-ZUOKHONESA-N |
| Instrument Name |
HP 5995C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.877 |
| Molecular Weight |
450.272 g/mol |
| Quality |
138 |
| Reported Formula |
C20H19IO4 |
| SMILES |
C=1(C=CC=2OC(=O)[C@](C(OCC)=O)(CC3=CC=CC=C3)[C@](C)(C2C1)[H])I |
| SPLASH |
splash10-01ox-9036000000-e3d5f5eb45643418cc26 |
| Sample Comments |
dr 96:4 |
| Source of Spectrum |
ARK-2023-58-8e (DOI: 10.24820/ark.5550190.p011.877) |
| Wiley ID |
1911240 |
