| SpectraBase Spectrum ID |
Abz8kmTGgwQ |
| Name |
.alpha.-Hexyl-3-(6'-hydroxy-2',4'-octadiynyl)-oxirane-methanol - 3,11-bis(3",5"-Dinitrobenzoate) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H30N4O13 |
| InChI |
InChI=1S/C31H30N4O13/c1-3-5-6-9-13-28(48-30(36)20-16-22(33(40)41)18-23(17-20)34(42)43)29-27(47-29)12-10-7-8-11-24(4-2)46-31(37)25-15-14-21(32(38)39)19-26(25)35(44)45/h14-19,24,27-29H,3-6,9,12-13H2,1-2H3 |
| InChIKey |
FGKDKAKULJRIDB-UHFFFAOYSA-N |
| Molecular Weight |
666.596 g/mol |
| SMILES |
C1(OC1CC#CC#CC(OC(c1c(N(=O)=O)cc(N(=O)=O)cc1)=O)CC)C(OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)CCCCCC |
| SPLASH |
splash10-0002-0900000000-391ca0188045d8fc5473 |
| Source of Spectrum |
X2-54-1421-1 |
| Wiley ID |
1604246 |
