| SpectraBase Spectrum ID |
KsfOIsxiUnt |
| Name |
1,6a(3H)-Pentalenedicarboxylic acid, 6-cyano-3a,4,5,6-tetrahydro-2-hydroxy-3,3-dimethyl-, dimethyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)- |
| CAS Registry Number |
76679-89-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19NO5 |
| InChI |
InChI=1S/C15H19NO5/c1-14(2)9-6-5-8(7-16)15(9,13(19)21-4)10(11(14)17)12(18)20-3/h8-9,17H,5-6H2,1-4H3/t8-,9-,15+/m1/s1 |
| InChIKey |
KXPDTZSONWTJDC-XWRVAKJBSA-N |
| Molecular Weight |
293.319 g/mol |
| SMILES |
OC1=C([C@]2([C@@](CC[C@@]2(C#N)[H])([H])C1(C)C)C(=O)OC)C(=O)OC |
| SPLASH |
splash10-0006-0090000000-da1863580a64d322862f |
| Source of Spectrum |
I-60-832-0 |
| Synonyms |
dimethyl (3aR,6S,6aR)-6-cyano-2-hydroxy-3,3-dimethyl-3a,4,5,6-tetrahydro-1,6a(3H)-pentalenedicarboxylate
Dimethyl exo-8-cyano-3-hydroxy-4,4-dimethyl-cis-bicyclo[3.3.0]oct-2-ene-1,2-dicarboxylate
dimethyl (3aR,6S,6aR)-6-cyano-2-hydroxy-3,3-dimethyl-3a,4,5,6-tetrahydropentalene-1,6a-dicarboxylate
dimethyl (3aR,6S,6aR)-6-cyano-3,3-dimethyl-2-oxidanyl-3a,4,5,6-tetrahydropentalene-1,6a-dicarboxylate |
| Wiley ID |
1296262 |
