SpectraBase Compound ID | 7AXMw3CKEII |
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InChI | InChI=1S/C11H14ClNO/c1-3-13(11(14)8-12)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
InChIKey | CMVONEMFKQDVPO-UHFFFAOYSA-N |
Mol Weight | 211.69 g/mol |
Molecular Formula | C11H14ClNO |
Exact Mass | 211.076392 g/mol |
SpectraBase Spectrum ID | 6KnNRtllpPA |
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Name | 2-Chloro-N-ethyl-o-acetotoluidide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 211.076391774 u |
Formula | C11H14ClNO |
InChI | InChI=1S/C11H14ClNO/c1-3-13(11(14)8-12)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
InChIKey | CMVONEMFKQDVPO-UHFFFAOYSA-N |
Molecular Weight | 211.692 g/mol |
SMILES | C=1C(=C(C=CC1)C)N(C(CCl)=O)CC |
Spectrum/Structure Validation Score (Raman) | 0.708852 |