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Thebaine N-oxide

View entire compound with spectra: 1 MS (GC)

Thebaine N-oxide
SpectraBase Compound ID 1FL6ZxoIF5k
InChI InChI=1S/C19H21NO4/c1-20(21)9-8-19-12-5-7-15(23-3)18(19)24-17-14(22-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18-,19+,20+/m0/s1
InChIKey PMXUJDPQAVEYII-YGHPHNMRSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGPA0RSgy
Name Thebaine N-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-20(21)9-8-19-12-5-7-15(23-3)18(19)24-17-14(22-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18-,19+,20+/m0/s1
InChIKey PMXUJDPQAVEYII-YGHPHNMRSA-N
Molecular Weight 327.380 g/mol
SMILES [C@@]123C=4[C@@]([N@@+](CC3)([O-])C)(Cc3c1c(c(OC)cc3)O[C@]2(C(=CC4)OC)[H])[H]
SPLASH splash10-0iki-0094000000-da37cbdedbe745bff2a6
Source of Spectrum Y1-39-379-3
Wiley ID 1528062