| SpectraBase Spectrum ID |
BV5RWZ7aYn2 |
| Name |
1,2-Cyclopentatriazoledicarboxylic acid, 3,3a,4,6a-tetrahydro-3-(4-methylphenyl)-, bis(1-methylethyl) ester, cis- |
| CAS Registry Number |
87474-56-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27N3O4 |
| InChI |
InChI=1S/C20H27N3O4/c1-13(2)26-19(24)22-18-8-6-7-17(18)21(16-11-9-15(5)10-12-16)23(22)20(25)27-14(3)4/h6,8-14,17-18H,7H2,1-5H3/t17-,18+/m1/s1 |
| InChIKey |
AHUYLVAUUVIATM-MSOLQXFVSA-N |
| Molecular Weight |
373.453 g/mol |
| SMILES |
c1(N2N(N([C@@]3([C@]2(CC=C3)[H])[H])C(OC(C)C)=O)C(OC(C)C)=O)ccc(cc1)C |
| SPLASH |
splash10-0006-9150000000-68d14857f2026a62dfd7 |
| Source of Spectrum |
H-66-1617-0 |
| Synonyms |
diisopropyl (3aR,6aS)-3-(4-methylphenyl)-3,3a,4,6a-tetrahydrocyclopenta[d][1,2,3]triazole-1,2-dicarboxylate
Diisopropylester of cis-3-(4-methylphenyl)-1,2,3,3a,4,6a-hexahydrocyclopentatriazol-1,2-dicarboxylic acid |
| Wiley ID |
1356108 |
