| SpectraBase Spectrum ID |
KoDXIXYvH1Z |
| Name |
4,7-Ethanoisobenzofuran-1,3-dione, 3A,4,7,7A-tetrahydro-4-methyl-7-(1-methylethyl)-, (3A.alpha.,4.alpha.,7.beta.,7A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-8(2)14-6-4-13(3,5-7-14)9-10(14)12(16)17-11(9)15/h4,6,8-10H,5,7H2,1-3H3/t9-,10+,13-,14-/m0/s1 |
| InChIKey |
ZGACYOKNEKDSNK-DJBIQUGXSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C1([C@@]2([C@]3(C=C[C@]([C@]2([H])C(O1)=O)(CC3)C)C(C)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850862 |
