SpectraBase Spectrum ID |
1NwrSysAQao |
Name |
Tetramethyl 3,10-dimethyl-hexacyclo[10.2.1.1(5,8).0(2,11).0(3,10).0(4,9)]hexadecane-6-exo,7-exo,13-exo,14-exo-tetracarboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
474.225368047 u |
Formula |
C26H34O8 |
InChI |
InChI=1S/C26H34O8/c1-25-17-9-7-11(15(23(29)33-5)13(9)21(27)31-3)19(17)26(25,2)20-12-8-10(18(20)25)14(22(28)32-4)16(12)24(30)34-6/h9-20H,7-8H2,1-6H3 |
InChIKey |
GGKPUXUGPISGMC-UHFFFAOYSA-N |
Molecular Weight |
474.550 g/mol |
SMILES |
C12(C(C)(C3C2C2C(C(C(=O)OC)C3C2)C(=O)OC)C2C1C1C(C(C(=O)OC)C2C1)C(=O)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8658 |