| SpectraBase Spectrum ID |
5zeuumJ1WMp |
| Name |
[(3aS,4R,7S,7aR)-7-(methoxycarbonylamino)-2,2-bis(trideuteriomethyl)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]acetate |
| Alternate Name(s) |
(3aS,4R,7S,7aR)-7-((methoxycarbonyl)amino)-2,2-bis(methyl-d3)-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13D6NO6 |
| InChI |
InChI=1S/C13H19NO6/c1-7(15)18-9-6-5-8(14-12(16)17-4)10-11(9)20-13(2,3)19-10/h5-6,8-11H,1-4H3,(H,14,16)/t8-,9+,10+,11-/m0/s1/i2D3,3D3 |
| InChIKey |
ADPTVNCDHDCPAL-BNGGHIFXSA-N |
| Literature Reference DOI |
10.1002/rcm.2865 |
| Molecular Weight |
291.333 g/mol |
| SMILES |
N([C@@]1([C@@]2([C@]([C@@](C=C1)(OC(=O)C)[H])(OC(O2)(C([D])([D])[D])C([D])([D])[D])[H])[H])[H])C(=O)OC |
| SPLASH |
splash10-053f-5910000000-d1ed2e96c8fe5784aa55 |
| Source of Spectrum |
RCM-21-582-d6_3 |
| Wiley ID |
1814407 |
![[(3aS,4R,7S,7aR)-7-(methoxycarbonylamino)-2,2-bis(trideuteriomethyl)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]acetate](/api/spectrum/5zeuumJ1WMp/structure.png?h=300&w=458 "[(3aS,4R,7S,7aR)-7-(methoxycarbonylamino)-2,2-bis(trideuteriomethyl)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]acetate")
