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N-Methyl-DOB AC

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

N-Methyl-DOB AC
SpectraBase Compound ID 6U1aDkX27I
InChI InChI=1S/C14H20BrNO3/c1-9(16(3)10(2)17)6-11-7-14(19-5)12(15)8-13(11)18-4/h7-9H,6H2,1-5H3
InChIKey NQXXYRZYSSNVBG-UHFFFAOYSA-N
Mol Weight 330.22 g/mol
Molecular Formula C14H20BrNO3
Exact Mass 329.062657 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EghzzJbbFpp
Name N-Methyl-dob ac P1086
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.062656505 u
Formula C14H20BrNO3
InChI InChI=1S/C14H20BrNO3/c1-9(16(3)10(2)17)6-11-7-14(19-5)12(15)8-13(11)18-4/h7-9H,6H2,1-5H3
InChIKey NQXXYRZYSSNVBG-UHFFFAOYSA-N
Molecular Weight 330.222 g/mol
SMILES C=1(OC)C=C(C(OC)=CC1Br)CC(N(C(C)=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93222