SpectraBase Compound ID | BvWKQeuZzEJ |
---|---|
InChI | InChI=1S/C7H14/c1-2-3-4-7-5-6-7/h7H,2-6H2,1H3 |
InChIKey | SXZVSSJONMPJMN-UHFFFAOYSA-N |
Mol Weight | 98.19 g/mol |
Molecular Formula | C7H14 |
Exact Mass | 98.10955 g/mol |
SpectraBase Spectrum ID | A4OfimPk9BS |
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Name | N-Butyl-cyclopropan |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 98.109550451 u |
Formula | C7H14 |
InChI | InChI=1S/C7H14/c1-2-3-4-7-5-6-7/h7H,2-6H2,1H3 |
InChIKey | SXZVSSJONMPJMN-UHFFFAOYSA-N |
Molecular Weight | 98.189 g/mol |
SMILES | C1C(CCCC)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908938 |