SpectraBase Compound ID | 9qChRKmocnW |
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InChI | InChI=1S/C16H18/c1-12(2)11-13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-11,13H,1-3H3 |
InChIKey | BBUIZQFLILQODT-UHFFFAOYSA-N |
Mol Weight | 210.32 g/mol |
Molecular Formula | C16H18 |
Exact Mass | 210.140851 g/mol |
SpectraBase Spectrum ID | Gi8Koghri3a |
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Name | 2-Methyl-4-(naphthyl)-2-pentene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.140850580 u |
Formula | C16H18 |
InChI | InChI=1S/C16H18/c1-12(2)11-13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-11,13H,1-3H3 |
InChIKey | BBUIZQFLILQODT-UHFFFAOYSA-N |
Molecular Weight | 210.320 g/mol |
SMILES | C1(=C2C(C=CC=C2)=CC=C1)C(C=C(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916847 |