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(2S,6S)-6-Hydroxy-8-methoxy-1-methyl-1,2,3,4-tetrahydro-2,6-methanobenzazocin-5-one
SpectraBase Compound ID 9onSDKXVmEN
InChI InChI=1S/C14H17NO3/c1-15-9-3-6-13(16)14(17,8-9)11-7-10(18-2)4-5-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3/t9-,14-/m0/s1
InChIKey HTISOVCITKJMSY-XPTSAGLGSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bYyXUEGuFs
Name (2S,6S)-6-Hydroxy-8-methoxy-1-methyl-1,2,3,4-tetrahydro-2,6-methanobenzazocin-5-one
Appearance Yellow oil
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Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-15-9-3-6-13(16)14(17,8-9)11-7-10(18-2)4-5-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3/t9-,14-/m0/s1
InChIKey HTISOVCITKJMSY-XPTSAGLGSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Molecular Weight 247.294 g/mol
Quality 68
Reported Formula C14H17NO3
SMILES O[C@]12C=3C=C(C=CC3N([C@](C1)(CCC2=O)[H])C)OC
SPLASH splash10-0005-0790000000-2ffbd4f867bae0cfb9e2
Source of Spectrum QE-21-SM24-29 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.11 (cyclohexane/Et2O, 2:1)
Wiley ID 1907600