| SpectraBase Spectrum ID |
ItG7GvODUzL |
| Name |
(3ar,3bs,6as,7as)-3A,5,5,7A-Tetramethyl-2,3B,4,6,6A,7-hexahydro-1H-cyclopenta[F]pentalene-3,3-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.245709571 u |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-7-24-16(22)21(17(23)25-8-2)10-9-19(5)12-14-11-18(3,4)13-15(14)20(19,21)6/h14-15H,7-13H2,1-6H3/t14-,15-,19-,20+/m0/s1 |
| InChIKey |
FWUGMMGLBLAUSX-HZVDNRATSA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
[C@]12(C(C(=O)OCC)(C(=O)OCC)CC[C@]2(C[C@]2([C@@]1(CC(C)(C)C2)[H])[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986933 |
![(3aR,3bS,6aS,7aS)-3a,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[f]pentalene-3,3-dicarboxylic acid diethyl ester](/api/spectrum/ItG7GvODUzL/structure.png?h=300&w=458 "(3aR,3bS,6aS,7aS)-3a,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[f]pentalene-3,3-dicarboxylic acid diethyl ester")
