| SpectraBase Spectrum ID |
45RPsEhE9uU |
| Name |
4,7-Ethano-1,2,3-metheno-1H-indene-8,9-dione, 2,3,3A,4,7,7A-hexahydro-, (3A.alpha.,4.alpha.,7.alpha.,7A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.068079560 u |
| Formula |
C12H10O2 |
| InChI |
InChI=1S/C12H10O2/c13-11-3-1-2-4(12(11)14)6-5(3)7-9-8(6)10(7)9/h1-10H/t3?,4?,5-,6-,7-,8+,9-,10+/m0/s1 |
| InChIKey |
AUOZUQBGLQRFEF-OLOHSMGISA-N |
| Molecular Weight |
186.210 g/mol |
| SMILES |
[C@]12([C@@]3([C@]2([C@]2(C4C(=O)C(C([C@@]2([C@]13[H])[H])C=C4)=O)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824663 |
