![3-[2-[(3aR,7aS)-5-bromanyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]ethyl]-1,3-oxazol-2-one](/api/spectrum/7rgPkxAEUaC/structure.png?h=300&w=458 "3-[2-[(3aR,7aS)-5-bromanyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]ethyl]-1,3-oxazol-2-one")
| SpectraBase Compound ID | E7IUC4CWwRy |
|---|---|
| InChI | InChI=1S/C14H18BrNO4/c1-14(2)19-11-4-3-10(15)9(12(11)20-14)5-6-16-7-8-18-13(16)17/h7-8,11-12H,3-6H2,1-2H3/t11-,12+/m0/s1 |
| InChIKey | NSMPGOKRXLOQDY-NWDGAFQWSA-N |
| Mol Weight | 344.21 g/mol |
| Molecular Formula | C14H18BrNO4 |
| Exact Mass | 343.041921 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7rgPkxAEUaC |
|---|---|
| Name | 3-[2-[(3aR,7aS)-5-bromanyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]ethyl]-1,3-oxazol-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18BrNO4 |
| InChI | InChI=1S/C14H18BrNO4/c1-14(2)19-11-4-3-10(15)9(12(11)20-14)5-6-16-7-8-18-13(16)17/h7-8,11-12H,3-6H2,1-2H3/t11-,12+/m0/s1 |
| InChIKey | NSMPGOKRXLOQDY-NWDGAFQWSA-N |
| Molecular Weight | 344.205 g/mol |
| SMILES | C=1([C@]2(OC(C)(C)O[C@]2(CCC1Br)[H])[H])CCN1C(OC=C1)=O |
| SPLASH | splash10-052u-0092000000-7f50899c6298effe1084 |
| Source of Spectrum | SO-0-676-67 |
| Synonyms | 3-[2-[(3aR,7aS)-5-bromo-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]ethyl]-1,3-oxazol-2-one 3-[2-[(3aR,7aS)-5-bromo-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]ethyl]-2-oxazolone 3-[2-[(3aR,7aS)-5-bromo-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]ethyl]-4-oxazolin-2-one 3-[2-[(3aR,7aS)-5-bromo-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]ethyl]oxazol-2-one |
| Wiley ID | 875424 |