| SpectraBase Compound ID | 53S0uxAxRol |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3 |
| InChIKey | FKBMTBAXDISZGN-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IJ2EO8d4naT |
|---|---|
| Name | 1,3-Isobenzofurandione, hexahydro-5-methyl- |
| Alternate Name(s) | 1,2-Cyclohexanedicarboxylic anhydride, 4-methyl- 4-Methyl-1,2-cyclohexanedicarboxylic anhydride 4-Methylcyclohexyl-1,6-dicarboxylic acid anhydride 5-Methyl hexahydro-1,3-isobenzofurandione 5-Methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione 5-Methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione 5-Methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone 5-Methylhexahydro-2-benzofuran-1,3-dione 5-Methylhexahydrophthalic anhydride Hexahydro-4-methylphthalic anhydride EINECS 243-072-0 NSC 128883 |
| CAS Registry Number | 19438-60-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3 |
| InChIKey | FKBMTBAXDISZGN-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C1(=O)C2C(CCC(C2)C)C(O1)=O |
| SPLASH | splash10-001j-9000000000-9bb7c70d07b659223e64 |
| Source of Spectrum | W5-10524-0-0 |
| Wiley ID | 1164320 |