| SpectraBase Spectrum ID |
GsE29q3RRQD |
| Name |
Meso-1,2-di-1-adamantyl-1,2-dicyclohexylethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.422551739 u |
| Formula |
C34H54 |
| InChI |
InChI=1S/C34H54/c1-3-7-29(8-4-1)31(33-17-23-11-24(18-33)13-25(12-23)19-33)32(30-9-5-2-6-10-30)34-20-26-14-27(21-34)16-28(15-26)22-34/h23-32H,1-22H2/t23-,24+,25-,26-,27+,28-,31?,32?,33-,34- |
| InChIKey |
SNBDRUPVBYQELM-KZCFSTTRSA-N |
| Molecular Weight |
462.806 g/mol |
| SMILES |
C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(C(C1CCCCC1)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])C1CCCCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977014 |
