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N-(6-(Propa-1,2-dien-1-yl)benzo[d][1,3]dioxol-5-yl)benzamide
SpectraBase Compound ID GiovWZkbECy
InChI InChI=1S/C17H13NO3/c1-2-6-13-9-15-16(21-11-20-15)10-14(13)18-17(19)12-7-4-3-5-8-12/h3-10H,1,11H2,(H,18,19)
InChIKey YISVTQWPYLLVED-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5fKWkkPskuP
Name N-(6-(Propa-1,2-dien-1-yl)benzo[D][1,3]dioxol-5-yl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.089543280 u
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-2-6-13-9-15-16(21-11-20-15)10-14(13)18-17(19)12-7-4-3-5-8-12/h3-10H,1,11H2,(H,18,19)
InChIKey YISVTQWPYLLVED-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES C1=C(NC(C2=CC=CC=C2)=O)C(C=C=C)=CC2=C1OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958323