| SpectraBase Spectrum ID |
3IfwcrHoiqy |
| Name |
(3aR,6R,7R,7aS)-ethyl 7-acetamido-6-azido-2,2-dimethyl-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20N4O5 |
| InChI |
InChI=1S/C14H20N4O5/c1-5-21-13(20)8-6-9(17-18-15)10(16-7(2)19)12-11(8)22-14(3,4)23-12/h6,9-12H,5H2,1-4H3,(H,16,19)/t9-,10-,11-,12+/m1/s1 |
| InChIKey |
BZWKQKBHUQAGPA-KKOKHZNYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
324.337 g/mol |
| Optical Rotation |
[a]D23 = -183.6 (c = 0.34, CHCl3) |
| Reported Formula |
C14H20N4O5 |
| SMILES |
N([C@@]1([C@@](C=C([C@@]2([C@]1(OC(C)(C)O2)[H])[H])C(OCC)=O)(N=[N+]=[N-])[H])[H])C(C)=O |
| SPLASH |
splash10-0006-9001000000-7cb01e5845b4aa14d9f3 |
| Source of Spectrum |
US20110201577A1 |
| Thin-Layer Chromatography |
Rf = 0.51 (hexanes/ethyl acetate, 8:2) |
| Wiley ID |
1842942 |
![(3aR,6R,7R,7aS)-ethyl 7-acetamido-6-azido-2,2-dimethyl-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate](/api/spectrum/3IfwcrHoiqy/structure.png?h=300&w=458 "(3aR,6R,7R,7aS)-ethyl 7-acetamido-6-azido-2,2-dimethyl-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate")
