SpectraBase Compound ID | JltKnlnbv0j |
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InChI | InChI=1S/C12H17NO2/c1-4-15-12(14)10-5-7-11(8-6-10)13-9(2)3/h5-9,13H,4H2,1-3H3 |
InChIKey | ZPBOTKDRDPCNQK-UHFFFAOYSA-N |
Mol Weight | 207.27 g/mol |
Molecular Formula | C12H17NO2 |
Exact Mass | 207.125929 g/mol |
SpectraBase Spectrum ID | I9s3Te1Y0WH |
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Name | Benzocaine, N-(isopropyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 207.125928789 u |
Formula | C12H17NO2 |
InChI | InChI=1S/C12H17NO2/c1-4-15-12(14)10-5-7-11(8-6-10)13-9(2)3/h5-9,13H,4H2,1-3H3 |
InChIKey | ZPBOTKDRDPCNQK-UHFFFAOYSA-N |
Molecular Weight | 207.273 g/mol |
SMILES | C1=C(C=CC(=C1)C(=O)OCC)NC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905388 |