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1,2-Dihydro-stephaoxocanine

View entire compound with spectra: 1 MS (GC)

1,2-Dihydro-stephaoxocanine
SpectraBase Compound ID DuyEEiC8qz4
InChI InChI=1S/C18H23NO4/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(23-13)16(15(10)17)18(14)22-2/h5,9,11,13,17,19-20H,3-4,6-8H2,1-2H3/b12-5-/t11-,13+,17-/m0/s1
InChIKey RZWITZRLZGWZMP-HNHAGNHXSA-N
Mol Weight 317.38 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eq750BAnLP1
Name 1,2-Dihydro-stephaoxocanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(23-13)16(15(10)17)18(14)22-2/h5,9,11,13,17,19-20H,3-4,6-8H2,1-2H3/b12-5-/t11-,13+,17-/m0/s1
InChIKey RZWITZRLZGWZMP-HNHAGNHXSA-N
Molecular Weight 317.385 g/mol
SMILES N1CCc2c3c(\C4=C\C[C@@](CC[C@@]([C@]13[H])([H])O4)(O)[H])c(c(c2)OC)OC
SPLASH splash10-015i-0092000000-597ac215396b4199f696
Source of Spectrum G4-59-805-2
Wiley ID 1606442