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3-(4-{[(2,3-Dihydroxypropyl)methylamino]methyl}benzylidene)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID CnyV5e2ZTEa
InChI InChI=1S/C22H31NO3/c1-21(2)19-9-10-22(21,3)20(26)18(19)11-15-5-7-16(8-6-15)12-23(4)13-17(25)14-24/h5-8,11,17,19,24-25H,9-10,12-14H2,1-4H3/b18-11-/t17?,19-,22+/m0/s1
InChIKey VBRDDHXDBAISCX-CHBFPIHKSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zVqu6kYx7X
Name 3-(4-{[(2,3-Dihydroxypropyl)methylamino]methyl}benzylidene)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-21(2)19-9-10-22(21,3)20(26)18(19)11-15-5-7-16(8-6-15)12-23(4)13-17(25)14-24/h5-8,11,17,19,24-25H,9-10,12-14H2,1-4H3/b18-11-/t17?,19-,22+/m0/s1
InChIKey VBRDDHXDBAISCX-CHBFPIHKSA-N
Ionization Type EI
Molecular Weight 357.494 g/mol
SMILES OCC(CN(Cc1ccc(\C=C/2C([C@]3(CC[C@@]2(C3(C)C)[H])C)=O)cc1)C)O
SPLASH splash10-0udj-0190000000-6ffe064f08c8d21835b7
Source of Spectrum US7863478B2
Thin-Layer Chromatography Rf = 0.27 (CH3Cl:MeOH, 9:1)
Wiley ID 1861318