| SpectraBase Spectrum ID |
3CmADPidWFL |
| Name |
(1S,2S,5R,8S)-8-Methylene-1,4,4-triethyltricyclo[6.2.1.0(2,5)]undecan-15-ol 3,5-dinitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28N2O6 |
| InChI |
InChI=1S/C22H28N2O6/c1-20(2)11-18-17(20)4-5-22(7-6-21(18,3)12-22)13-30-19(25)14-8-15(23(26)27)10-16(9-14)24(28)29/h8-10,17-18H,4-7,11-13H2,1-3H3/t17-,18+,21+,22+/m1/s1 |
| InChIKey |
VDFIROBTNBOBKR-KSCDAYEDSA-N |
| Molecular Weight |
416.474 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OC[C@]12C[C@]([C@]3(CC([C@@]3(CC2)[H])(C)C)[H])(C)CC1)=O |
| SPLASH |
splash10-0006-9100000000-dafd1274dcb60ff49b05 |
| Source of Spectrum |
J-65-7790-11 |
| Wiley ID |
1533802 |
![(1S,2S,5R,8S)-8-Methylene-1,4,4-triethyltricyclo[6.2.1.0(2,5)]undecan-15-ol 3,5-dinitrobenzoate](/api/spectrum/3CmADPidWFL/structure.png?h=300&w=458 "(1S,2S,5R,8S)-8-Methylene-1,4,4-triethyltricyclo[6.2.1.0(2,5)]undecan-15-ol 3,5-dinitrobenzoate")
