| SpectraBase Spectrum ID |
9aW3oOzwPBB |
| Name |
(S)-5-(([1,1'-biphenyl]-4-yl-2',3',4',5',6'-d5)methoxy)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic acid |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.168271124 u |
| Formula |
C26H16D5NO6 |
| 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/i1D,2D,3D,6D,7D |
| InChIKey |
QLFQNBCYRFAAPW-NNXOFQDGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202108814 |
| Molecular Weight |
448.486 g/mol |
| Quality |
924 |
| SMILES |
OC([C@](CCC(OCC1=CC=C(C=C1)C1=C(C(=C(C(=C1[D])[D])[D])[D])[D])=O)(N1C(C2=CC=CC=C2C1=O)=O)[H])=O |
| SPLASH |
splash10-059i-1950000000-898e93c98ad1ea4c5d13 |
| Source of Spectrum |
ACI-60-SM70-10c (DOI: 10.1002/anie.202108814) |
| Thin-Layer Chromatography |
0.64 (ethyl acetate/cyclohexane, 1:1) |
| Wiley ID |
1891324 |
![(S)-5-(([1,1'-biphenyl]-4-yl-2',3',4',5',6'-d5)methoxy)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic acid](/api/spectrum/9aW3oOzwPBB/structure.png?h=300&w=458 "(S)-5-(([1,1'-biphenyl]-4-yl-2',3',4',5',6'-d5)methoxy)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic acid")
