![4H-1,3-Benzodioxin-4-one, hexahydro-5-methyl-, [4as-(4a.alpha.,5.beta.,8a.beta.)]-](/api/spectrum/KwNiTeQpBtP/structure.png?h=300&w=458 "4H-1,3-Benzodioxin-4-one, hexahydro-5-methyl-, [4as-(4a.alpha.,5.beta.,8a.beta.)]-")
| SpectraBase Compound ID | JxtuIJzeAZK |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-6-3-2-4-7-8(6)9(10)12-5-11-7/h6-8H,2-5H2,1H3 |
| InChIKey | NLCHMTDNCDTGMO-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KwNiTeQpBtP |
|---|---|
| Name | 4H-1,3-BENZODIOXIN-4-ONE, HEXAHYDRO-5-METHYL-, [4AS-(4Aalpha,5beta,8Abeta)]- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-6-3-2-4-7-8(6)9(10)12-5-11-7/h6-8H,2-5H2,1H3 |
| InChIKey | NLCHMTDNCDTGMO-UHFFFAOYSA-N |
| Molecular Weight | 170.0939 |
| SMILES | CC1C2C(OCOC2=O)CCC1 |
| SPLASH | splash10-00ls-9000000000-8afd83eadbe3f0330c1a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |