SpectraBase Compound ID | KNNlrcrsvQl |
---|---|
InChI | InChI=1S/C11H18/c1-8(2)10-5-6-11(7-10)9(3)4/h5,7-9H,6H2,1-4H3 |
InChIKey | QCEFTGHIXRHYPC-UHFFFAOYSA-N |
Mol Weight | 150.26 g/mol |
Molecular Formula | C11H18 |
Exact Mass | 150.140851 g/mol |
SpectraBase Spectrum ID | 5nrempQg0sp |
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Name | 1,3-Cyclopentadiene, 1,3-bis(1-methylethyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 150.140850580 u |
Formula | C11H18 |
InChI | InChI=1S/C11H18/c1-8(2)10-5-6-11(7-10)9(3)4/h5,7-9H,6H2,1-4H3 |
InChIKey | QCEFTGHIXRHYPC-UHFFFAOYSA-N |
Molecular Weight | 150.265 g/mol |
SMILES | CC(C=1CC=C(C1)C(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940248 |