![(3S,4aR)-3-Isopropyl-8-hydroxy-3,4,4a,5,6,7-hexahydrobenzo[c]pyranone](/api/spectrum/CvEEp4SJgQB/structure.png?h=300&w=458 "(3S,4aR)-3-Isopropyl-8-hydroxy-3,4,4a,5,6,7-hexahydrobenzo[c]pyranone")
| SpectraBase Compound ID | 6xHDXUcSdX2 |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-7(2)10-6-8-4-3-5-9(13)11(8)12(14)15-10/h7-8,10,13H,3-6H2,1-2H3/t8-,10-/m1/s1 |
| InChIKey | UMPSQDALZZISTC-PSASIEDQSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CvEEp4SJgQB |
|---|---|
| Name | (3S,4aR)-3-Isopropyl-8-hydroxy-3,4,4a,5,6,7-hexahydrobenzo[c]pyranone |
| Alternate Name(s) | (3R,4aR)-8-hydroxy-3-isopropyl-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-1-one (3R,4aR)-8-hydroxy-3-propan-2-yl-3,4,4a,5,6,7-hexahydro-2-benzopyran-1-one (3R,4aR)-8-hydroxy-3-propan-2-yl-3,4,4a,5,6,7-hexahydroisochromen-1-one (3R,4aR)-8-oxidanyl-3-propan-2-yl-3,4,4a,5,6,7-hexahydroisochromen-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-7(2)10-6-8-4-3-5-9(13)11(8)12(14)15-10/h7-8,10,13H,3-6H2,1-2H3/t8-,10-/m1/s1 |
| InChIKey | UMPSQDALZZISTC-PSASIEDQSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | OC1=C2C(O[C@](C[C@]2(CCC1)[H])(C(C)C)[H])=O |
| SPLASH | splash10-05fu-5900000000-eeb308fa69f35ffe0f88 |
| Source of Spectrum | SO-0-213-5 |
| Wiley ID | 873432 |