| SpectraBase Spectrum ID |
LbL7UVr2k1f |
| Name |
4,7-Methanoisobenzofuran-1,3-dione, 3A,4,7,7A-tetrahydro-3A,7A-dimethyl-, (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 |
192.078644243 u |
| Formula |
C11H12O3 |
| InChI |
InChI=1S/C11H12O3/c1-10-6-3-4-7(5-6)11(10,2)9(13)14-8(10)12/h3-4,6-7H,5H2,1-2H3/t6-,7+,10-,11-/m1/s1 |
| InChIKey |
LONVIZMZIJOMDN-LRMGWDNHSA-N |
| Molecular Weight |
192.214 g/mol |
| SMILES |
C[C@@]12[C@@](C)(C(OC2=O)=O)[C@]2(C=C[C@@]1(C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984313 |
