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3'-Acetoxy-methaqualone

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

3'-Acetoxy-methaqualone
SpectraBase Compound ID 5UaNXdfjPs8
InChI InChI=1S/C18H16N2O3/c1-11-16(9-6-10-17(11)23-13(3)21)20-12(2)19-15-8-5-4-7-14(15)18(20)22/h4-10H,1-3H3
InChIKey XXQDDCHKDQPQBX-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ASEj3QaZG3i
Name 3'-Acetoxy-methaqualone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.116092380 u
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c1-11-16(9-6-10-17(11)23-13(3)21)20-12(2)19-15-8-5-4-7-14(15)18(20)22/h4-10H,1-3H3
InChIKey XXQDDCHKDQPQBX-UHFFFAOYSA-N
Molecular Weight 308.337 g/mol
SMILES C1(N(C(=NC=2C1=CC=CC2)C)C1=C(C(OC(=O)C)=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94241