| SpectraBase Spectrum ID |
BUfdVxFWizu |
| Name |
cis-(3aS,4S,5S,7aS)-4-acetylamino-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-5-yl ester, acetic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| 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-/m0/s1 |
| InChIKey |
ASXHHWNYPVFOGX-YFKTTZPYSA-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 |
splash10-052f-9000000000-0938c13a2f8f062f8323 |
| Source of Spectrum |
F-65-217-c |
| Synonyms |
[(3aS,4S,5S,7aS)-4-acetamido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] acetate
[(3aS,4S,5S,7aS)-4-acetamido-7-bromanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] ethanoate |
| Wiley ID |
1712720 |
![cis-(3aS,4S,5S,7aS)-4-acetylamino-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-5-yl ester, acetic acid](/api/spectrum/BUfdVxFWizu/structure.png?h=300&w=458 "cis-(3aS,4S,5S,7aS)-4-acetylamino-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-5-yl ester, acetic acid")
