| SpectraBase Compound ID | HINcwiGLyca |
|---|---|
| InChI | InChI=1S/C8H12O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2 |
| InChIKey | WLYUMBPDHPMKHM-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HFSvplSBXb8 |
|---|---|
| Name | 1(3H)-Isobenzofuranone, hexahydro-, trans- |
| CAS Registry Number | 6939-71-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2 |
| InChIKey | WLYUMBPDHPMKHM-UHFFFAOYSA-N |
| Molecular Weight | 140.182 g/mol |
| SMILES | C1(=O)C2C(CCCC2)CO1 |
| SPLASH | splash10-0gc0-9000000000-a3096986c3ed5c9a0e7f |
| Source of Spectrum | J-52-4326-15 |
| Synonyms | 3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Hexahydro-2-benzofuran-1(3H)-one 3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one cis-Hexahydrophthalide Phthalide, hexahydro-, trans- Hexahydro-isobenzofuran-1-one trans-8-Oxobicyclo[4.3.0]nonan-7-one trans-Hexahydrophthalide |
| Wiley ID | 1139364 |