SpectraBase Compound ID | 2dl8eJ5VuuG |
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InChI | InChI=1S/C8H12/c1-2-4-7-6-8(7)5-3-1/h1-2,7-8H,3-6H2 |
InChIKey | AOEUXGZARHPSOK-UHFFFAOYSA-N |
Mol Weight | 108.18 g/mol |
Molecular Formula | C8H12 |
Exact Mass | 108.0939 g/mol |
SpectraBase Spectrum ID | 37Ka2sGATxs |
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Name | Bicyclo[5.1.0]oct-3-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 108.093900386 u |
Formula | C8H12 |
InChI | InChI=1S/C8H12/c1-2-4-7-6-8(7)5-3-1/h1-2,7-8H,3-6H2 |
InChIKey | AOEUXGZARHPSOK-UHFFFAOYSA-N |
Molecular Weight | 108.184 g/mol |
SMILES | C12C(CC=CCC2)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813464 |