SpectraBase Compound ID | Iea5JuXZFuO |
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InChI | InChI=1S/C12H16N2O2/c1-13(2)11(15)9-6-5-7-10(8-9)12(16)14(3)4/h5-8H,1-4H3 |
InChIKey | SVWDHNLFFDIWHM-UHFFFAOYSA-N |
Mol Weight | 220.27 g/mol |
Molecular Formula | C12H16N2O2 |
Exact Mass | 220.121178 g/mol |
SpectraBase Spectrum ID | OO0tLUHqHK |
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Name | N,N,N',N'-Tetramethylisophthalamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.121177761 u |
Formula | C12H16N2O2 |
InChI | InChI=1S/C12H16N2O2/c1-13(2)11(15)9-6-5-7-10(8-9)12(16)14(3)4/h5-8H,1-4H3 |
InChIKey | SVWDHNLFFDIWHM-UHFFFAOYSA-N |
Molecular Weight | 220.272 g/mol |
SMILES | C(C=1C=C(C(N(C)C)=O)C=CC1)(N(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912392 |