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Xenytropium - GC Artefact IV

View entire compound with spectra: 9 NMR, and 1 MS (GC)

Xenytropium - GC Artefact IV
SpectraBase Compound ID AD1F53ozJDn
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
InChIKey RKUNBYITZUJHSG-UHFFFAOYSA-N
Mol Weight 289.37 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gp5tDqBKJ4q
Name Xenytropium - GC Artefact IV
CAS Registry Number 101-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
InChIKey RKUNBYITZUJHSG-UHFFFAOYSA-N
Molecular Weight 289.375 g/mol
SMILES OCC(C(OC1CC2N(C(C1)CC2)C)=O)c1ccccc1
SPLASH splash10-00e9-9500000000-8cfb3b9c4266f68d4a26
Synonyms 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate (+,-)-Tropyl tropate (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate (+/-)-Atropine (+/-)-Hyoscyamine (-)-Atropine (-)-Hyoscyamine (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate (S)-(-)-Hyoscyamine (S)-Atropine .beta.-Phenyl-.gamma.-oxypropionsaeure-tropyl-ester 1-.alpha.-H,5-.alpha.-H-Tropan-3-.alpha.-ol (.+/-.)-tropate 1-Hyoscyamine 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol (.+/-.)-tropate (ester) 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, (-)-tropate (ester) 2-Phenylhydracrylic acid 3-.alpha.-tropanyl ester Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]- 3-Hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester 3-Hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate Atropen Atropin Atropin-flexiolen Atropina Atropinol Atropisol Benzeneacetic acid, .alpha.-(hydroxymethyl)- 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(.+/-.)- Cystospaz Daturine DL-Hyoscyamine DL-Tropanyl 2-hydroxy-1-phenylpropionate DL-Tropyl tropate Duboisine Eyesules Hyocyamine Hyoscyamin Hyoscyamine, L- Isopto-atropine l-Atropine l-Hyopscyamine L-Hyoscamine L-Hyoscyamine L-Hyoscyamine hydrobromide L-Tropine tropate Levsin Levsinex Scopolia extract Tropic acid, (-)-, ester with tropine Tropic acid, 1.alpha.H,5.alpha.H-tropan-3.alpha.-yl ester, (-)- Tropic acid, 3-.alpha.-tropanyl ester Tropine (+/-)-tropate Tropine, (-)-tropate Tropine, (-)-Tropate (ester) Troyl tropate AI3-60219 CCRIS 3080 EINECS 200-104-8 EINECS 202-933-0 HSDB 2199 HSDB 3552
Wiley ID 1510299