| SpectraBase Spectrum ID |
8hMS12jyZz3 |
| Name |
1,4-Epoxytriphenylene-2,3-dicarboxylic acid, 1,2,3,4-tetrahydro-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,4.alpha.)- |
| Alternate Name(s) |
dimethyl (1R,16S,17R,18R)-19-oxapentacyclo[14.2.1.0(2,15).0(3,8).0(9,14)]nonadeca-2(15),3,5,7,9,11,13-heptaene-17,18-dicarboxylate
Dimethyl 1,2,3,4-tetrahydro-1,4-epoxytriphenylene-endo-2,exo-3-dicarboxylate |
| CAS Registry Number |
118522-06-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18O5 |
| InChI |
InChI=1S/C22H18O5/c1-25-21(23)17-18(22(24)26-2)20-16-14-10-6-4-8-12(14)11-7-3-5-9-13(11)15(16)19(17)27-20/h3-10,17-20H,1-2H3/t17-,18-,19-,20+/m1/s1 |
| InChIKey |
PJLIYBDEGMUOOI-WTGUMLROSA-N |
| Molecular Weight |
362.381 g/mol |
| SMILES |
[C@@]1([C@]([C@]2([H])O[C@]1(c1c2c2ccccc2c2c1cccc2)[H])(C(=O)OC)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-014i-0090000000-acdad50cf1a69d4155f2 |
| Source of Spectrum |
B-41-243-0 |
| Wiley ID |
1349779 |
