| SpectraBase Spectrum ID |
FFHHlrQISbd |
| Name |
(Trans)-1,2-dibutyl-3-methylcyclopropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
168.187800773 u |
| Formula |
C12H24 |
| InChI |
InChI=1S/C12H24/c1-4-6-8-11-10(3)12(11)9-7-5-2/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1 |
| InChIKey |
GCORSVMWEXWDBK-VXGBXAGGSA-N |
| Molecular Weight |
168.324 g/mol |
| SMILES |
C1([C@@](CCCC)([C@@]1(CCCC)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938041 |
