SpectraBase Compound ID | E53oNdxoU05 |
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InChI | InChI=1S/C12H16O/c1-10(2)4-5-11-6-8-12(13-3)9-7-11/h4,6-9H,5H2,1-3H3 |
InChIKey | LRTREECNIUHJFH-UHFFFAOYSA-N |
Mol Weight | 176.26 g/mol |
Molecular Formula | C12H16O |
Exact Mass | 176.120115 g/mol |
SpectraBase Spectrum ID | J0L3osDPsk0 |
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Name | 1-Methoxy-4-(3-methyl-2-butenyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 176.120115134 u |
Formula | C12H16O |
InChI | InChI=1S/C12H16O/c1-10(2)4-5-11-6-8-12(13-3)9-7-11/h4,6-9H,5H2,1-3H3 |
InChIKey | LRTREECNIUHJFH-UHFFFAOYSA-N |
Molecular Weight | 176.259 g/mol |
SMILES | CC(=CCC=1C=CC(=CC1)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92675 |