| SpectraBase Spectrum ID |
IcuxOUSUoFl |
| Name |
Isopropyl O-cinnamoylmandelate cyclic hydrodimer |
| Alternate Name(s) |
2-isopropoxy-2-oxo-1-phenylethyl (1S,2R,3S)-5-oxo-2,3-diphenylcyclopentanecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H28O5 |
| InChI |
InChI=1S/C29H28O5/c1-19(2)33-29(32)27(22-16-10-5-11-17-22)34-28(31)26-24(30)18-23(20-12-6-3-7-13-20)25(26)21-14-8-4-9-15-21/h3-17,19,23,25-27H,18H2,1-2H3/t23-,25-,26-,27?/m1/s1 |
| InChIKey |
MYXQMEUNYQMQEG-NDBAXBNCSA-N |
| Molecular Weight |
456.538 g/mol |
| SMILES |
[C@@]1(C(OC(C(OC(C)C)=O)c2ccccc2)=O)([C@@]([C@@](c2ccccc2)(CC1=O)[H])(c1ccccc1)[H])[H] |
| SPLASH |
splash10-0a6r-5900100000-d0248de2bed06c6dd65a |
| Source of Spectrum |
KC-0-1969-13 |
| Wiley ID |
784132 |
