SpectraBase Compound ID | 2Mq927sd6cG |
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InChI | InChI=1S/C8H14/c1-7(2)3-4-8-5-6-8/h3-4,7-8H,5-6H2,1-2H3/b4-3- |
InChIKey | BXIJTSDWZKGHKL-ARJAWSKDSA-N |
Mol Weight | 110.2 g/mol |
Molecular Formula | C8H14 |
Exact Mass | 110.10955 g/mol |
SpectraBase Spectrum ID | DyFIxFE4dHm |
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Name | cis-1-Cyclopropyl-3-methyl-1-butene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 110.109550451 u |
Formula | C8H14 |
InChI | InChI=1S/C8H14/c1-7(2)3-4-8-5-6-8/h3-4,7-8H,5-6H2,1-2H3/b4-3- |
InChIKey | BXIJTSDWZKGHKL-ARJAWSKDSA-N |
Molecular Weight | 110.200 g/mol |
SMILES | C1(\C=C/C(C)C)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922876 |