SpectraBase Compound ID | AJchsBCpnBm |
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InChI | InChI=1S/C12H18O3/c1-12(15-4,11(13-2)14-3)10-8-6-5-7-9-10/h5-9,11H,1-4H3 |
InChIKey | NUCZXZBYACHCFE-UHFFFAOYSA-N |
Mol Weight | 210.27 g/mol |
Molecular Formula | C12H18O3 |
Exact Mass | 210.125594 g/mol |
SpectraBase Spectrum ID | 1vnhwlRVkAo |
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Name | Benzene, (1,2,2-trimethoxy-1-methylethyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.125594437 u |
Formula | C12H18O3 |
InChI | InChI=1S/C12H18O3/c1-12(15-4,11(13-2)14-3)10-8-6-5-7-9-10/h5-9,11H,1-4H3 |
InChIKey | NUCZXZBYACHCFE-UHFFFAOYSA-N |
Molecular Weight | 210.273 g/mol |
SMILES | C(C(OC)OC)(C1=CC=CC=C1)(OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912775 |