SpectraBase Compound ID | DJY9jBMWClr |
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InChI | InChI=1S/C15H18O/c1-15(2,3)12-9-11-7-5-6-8-13(11)14(10-12)16-4/h5-10H,1-4H3 |
InChIKey | SDWPAOHLCRRLMP-UHFFFAOYSA-N |
Mol Weight | 214.31 g/mol |
Molecular Formula | C15H18O |
Exact Mass | 214.135765 g/mol |
SpectraBase Spectrum ID | 7oTMaKhsrPt |
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Name | 3-Tert-butyl-1-methoxynaphthalene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 214.135765199 u |
Formula | C15H18O |
InChI | InChI=1S/C15H18O/c1-15(2,3)12-9-11-7-5-6-8-13(11)14(10-12)16-4/h5-10H,1-4H3 |
InChIKey | SDWPAOHLCRRLMP-UHFFFAOYSA-N |
Molecular Weight | 214.308 g/mol |
SMILES | C1(=CC(OC)=C2C(=C1)C=CC=C2)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954797 |