| SpectraBase Spectrum ID |
52pJLy8kain |
| Name |
1,7-Dimethyl-4-acetamido-2,6,13-trioxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane |
| Alternate Name(s) |
8-acetyl-1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridecane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-5(15)14-10-6-4-7-9-8(6)12(2,16-10)18-13(9,3)17-11(7)14/h6-11H,4H2,1-3H3/t6-,7+,8-,9+,10+,11-,12+,13- |
| InChIKey |
MZQAUCUBLLJUGY-XXQDYHPQSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
[C@]12(N([C@@]3(O[C@]4([C@]5([C@@]3(C[C@@]1([C@]5([C@](O2)(C)O4)[H])[H])[H])[H])C)[H])C(=O)C)[H] |
| SPLASH |
splash10-0a4i-0090000000-dbb51d034f44b1a1398f |
| Source of Spectrum |
F-54-5978-12 |
| Wiley ID |
807056 |
![1,7-Dimethyl-4-acetamido-2,6,13-trioxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane](/api/spectrum/52pJLy8kain/structure.png?h=300&w=458 "1,7-Dimethyl-4-acetamido-2,6,13-trioxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane")
