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Acetamide, N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloro-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Acetamide, N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloro-
SpectraBase Compound ID 4vzTO607hu3
InChI InChI=1S/C12H12ClNO4/c1-7(15)8-4-10-11(18-3-2-17-10)5-9(8)14-12(16)6-13/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKey MTJGBADPPUJZEA-UHFFFAOYSA-N
Mol Weight 269.68 g/mol
Molecular Formula C12H12ClNO4
Exact Mass 269.045486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EDgcg5FS1BS
Name Acetamide, N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.045485566 u
Formula C12H12ClNO4
InChI InChI=1S/C12H12ClNO4/c1-7(15)8-4-10-11(18-3-2-17-10)5-9(8)14-12(16)6-13/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKey MTJGBADPPUJZEA-UHFFFAOYSA-N
Molecular Weight 269.684 g/mol
SMILES C1(=C(C=C2C(=C1)OCCO2)C(C)=O)NC(=O)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978263