![2-[(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazol-3-yl]-2-propanol](/api/spectrum/HKOaSnfcndO/structure.png?h=300&w=458 "2-[(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazol-3-yl]-2-propanol")
| SpectraBase Compound ID | Lf9bDFAafKa |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-12(2,15)11-9-5-3-7-13(9)16-10(11)6-4-8-14/h9-11,14-15H,3-8H2,1-2H3/t9-,10-,11-/m0/s1 |
| InChIKey | BJRGSMLJDMJDTD-DCAQKATOSA-N |
| Mol Weight | 229.32 g/mol |
| Molecular Formula | C12H23NO3 |
| Exact Mass | 229.167794 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HKOaSnfcndO |
|---|---|
| Name | 2-[(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazol-3-yl]-2-propanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H23NO3 |
| InChI | InChI=1S/C12H23NO3/c1-12(2,15)11-9-5-3-7-13(9)16-10(11)6-4-8-14/h9-11,14-15H,3-8H2,1-2H3/t9-,10-,11-/m0/s1 |
| InChIKey | BJRGSMLJDMJDTD-DCAQKATOSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | OCCC[C@@]1(ON2[C@]([C@@]1(C(O)(C)C)[H])(CCC2)[H])[H] |
| SPLASH | splash10-0079-9000000000-1b617fb286e90f31d8cb |
| Source of Spectrum | K1-2004-4231-69 |
| Synonyms | 2-[(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazol-3-yl]propan-2-ol 2-[(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]propan-2-ol 2-[(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrol[1,2-b]isoxazol-3-yl]propan-2-ol 2-[(2S,3S,3aS)-2-(3-oxidanylpropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]propan-2-ol |
| Wiley ID | 1561662 |