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6.beta.-Benzoyloxy-3.alpha.-hydroxytropane
SpectraBase Compound ID Jci9ytSO3gK
InChI InChI=1S/C15H19NO3/c1-16-11-7-12(17)9-13(16)14(8-11)19-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12-,13+,14-/m0/s1
InChIKey KQVOSDJOQFJEOB-FQUUOJAGSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qDjME35AKZ
Name 6.beta.-Benzoyloxy-3.alpha.-hydroxytropane
Appearance White amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-16-11-7-12(17)9-13(16)14(8-11)19-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12-,13+,14-/m0/s1
InChIKey KQVOSDJOQFJEOB-FQUUOJAGSA-N
Instrument Name Finnigan MAT-90 or VG 7070-HF
Ionization Type EI
Literature Reference DOI 10.1021/np0104774
Molecular Weight 261.321 g/mol
Optical Rotation [a]D = -11 (c = 0.7, CHCl3)
Reported Formula C15H19NO3
SMILES O[C@]1(C[C@]2(C[C@@]([C@@](C1)(N2C)[H])(OC(c1ccccc1)=O)[H])[H])[H]
SPLASH splash10-03di-0900000000-7aecd1155184681317cd
Source of Spectrum G4-65-609-3
Wiley ID 1881106