| SpectraBase Compound ID | LPsa4gi5CNV |
|---|---|
| InChI | InChI=1S/C12H26/c1-7-11(8-2)9-10(3)12(4,5)6/h10-11H,7-9H2,1-6H3 |
| InChIKey | OOIGDPTZPWRGHN-UHFFFAOYSA-N |
| Mol Weight | 170.34 g/mol |
| Molecular Formula | C12H26 |
| Exact Mass | 170.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7LzjgcBLsUJ |
|---|---|
| Name | Heptane, 5-ethyl-2,2,3-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.203450837 u |
| Formula | C12H26 |
| InChI | InChI=1S/C12H26/c1-7-11(8-2)9-10(3)12(4,5)6/h10-11H,7-9H2,1-6H3 |
| InChIKey | OOIGDPTZPWRGHN-UHFFFAOYSA-N |
| Molecular Weight | 170.340 g/mol |
| SMILES | CCC(CC)CC(C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960051 |