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DOIP m-toluoyl
SpectraBase Compound ID 8IPjafGH95x
InChI InChI=1S/C22H29NO3/c1-14(2)19-13-20(25-5)18(12-21(19)26-6)11-16(4)23-22(24)17-9-7-8-15(3)10-17/h7-10,12-14,16H,11H2,1-6H3,(H,23,24)
InChIKey VPWDMKWOZNPATL-UHFFFAOYSA-N
Mol Weight 355.48 g/mol
Molecular Formula C22H29NO3
Exact Mass 355.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnrlJVydfIO
Name DOIP m-toluoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 355.214743795 u
Formula C22H29NO3
InChI InChI=1S/C22H29NO3/c1-14(2)19-13-20(25-5)18(12-21(19)26-6)11-16(4)23-22(24)17-9-7-8-15(3)10-17/h7-10,12-14,16H,11H2,1-6H3,(H,23,24)
InChIKey VPWDMKWOZNPATL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 355.478 g/mol
Nominal Mass 355 u
Quality 997
Retention Index 2673
SMILES C1(=C(C=C(C(=C1)OC)CC(NC(C=1C=C(C=CC1)C)=O)C)OC)C(C)C
SPLASH splash10-00xr-2981000000-5984de9c20538156a2e4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[1-(2,5-Dimethoxy-4-isopropylphenyl)propan-2-yl]-3-methylbenzamide
Technique GC/MS
Wiley ID DD2024_022926