| SpectraBase Spectrum ID |
4KpHsIOME4e |
| Name |
trans-(3aS,4S,5R,7aS)-4-acetylamino-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-5-yl ester, acetic acid |
| Alternate Name(s) |
[(3aS,4S,5R,7aS)-4-acetamido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] acetate
[(3aS,4S,5R,7aS)-4-acetamido-7-bromanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] ethanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18BrNO5 |
| InChI |
InChI=1S/C13H18BrNO5/c1-6(16)15-10-9(18-7(2)17)5-8(14)11-12(10)20-13(3,4)19-11/h5,9-12H,1-4H3,(H,15,16)/t9-,10+,11-,12+/m1/s1 |
| InChIKey |
ASXHHWNYPVFOGX-KXNHARMFSA-N |
| Molecular Weight |
348.193 g/mol |
| SMILES |
N([C@@]1([C@]2([C@@](C(Br)=C[C@]1(OC(=O)C)[H])(OC(O2)(C)C)[H])[H])[H])C(=O)C |
| SPLASH |
splash10-0006-9400000000-c6ed76cc89a3a63cdb96 |
| Source of Spectrum |
F-65-217-b |
| Wiley ID |
1712721 |
![trans-(3aS,4S,5R,7aS)-4-acetylamino-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-5-yl ester, acetic acid](/api/spectrum/4KpHsIOME4e/structure.png?h=300&w=458 "trans-(3aS,4S,5R,7aS)-4-acetylamino-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-5-yl ester, acetic acid")
