| SpectraBase Spectrum ID |
GeOsqWFH6l |
| Name |
(S)-5-([1,1'-biphenyl]-4-ylmethoxy-d2)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic acid |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H19D2NO6 |
| InChI |
InChI=1S/C26H21NO6/c28-23(33-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18)15-14-22(26(31)32)27-24(29)20-8-4-5-9-21(20)25(27)30/h1-13,22H,14-16H2,(H,31,32)/t22-/m0/s1/i16D2 |
| InChIKey |
QLFQNBCYRFAAPW-CIRJGKOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202108814 |
| Molecular Weight |
445.467 g/mol |
| Quality |
966 |
| SMILES |
OC([C@](CCC(OC(C1=CC=C(C=C1)C1=CC=CC=C1)([D])[D])=O)(N1C(C2=CC=CC=C2C1=O)=O)[H])=O |
| SPLASH |
splash10-00ri-2920000000-9d95b1e07947a1c9191c |
| Source of Spectrum |
ACI-60-SM51-10b (DOI: 10.1002/anie.202108814) |
| Thin-Layer Chromatography |
0.64 (ethyl acetate/cyclohexane, 1:1) |
| Wiley ID |
1891323 |
![(S)-5-([1,1'-biphenyl]-4-ylmethoxy-d2)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic acid](/api/spectrum/GeOsqWFH6l/structure.png?h=300&w=458 "(S)-5-([1,1'-biphenyl]-4-ylmethoxy-d2)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic acid")
