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9-Nitromethyl-10-oxatricyclo[9.4.0.0(3,9)]pentadeca-11(1),12,14-trien-2-ol isomer
SpectraBase Compound ID AjNebNxCEeW
InChI InChI=1S/C15H19NO4/c17-14-11-6-3-4-8-13(11)20-15(10-16(18)19)9-5-1-2-7-12(14)15/h3-4,6,8,12,14,17H,1-2,5,7,9-10H2
InChIKey LMTJABZJHDTEQP-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C15H19NO4
Exact Mass 277.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eqk6RL9x5NC
Name 9-Nitromethyl-10-oxatricyclo[9.4.0.0(3,9)]pentadeca-11(1),12,14-trien-2-ol isomer
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Formula C15H19NO4
InChI InChI=1S/C15H19NO4/c17-14-11-6-3-4-8-13(11)20-15(10-16(18)19)9-5-1-2-7-12(14)15/h3-4,6,8,12,14,17H,1-2,5,7,9-10H2
InChIKey LMTJABZJHDTEQP-UHFFFAOYSA-N
Molecular Weight 277.320 g/mol
SMILES OC1c2ccccc2OC2(C1CCCCC2)CN(=O)=O
SPLASH splash10-00di-0910000000-47efd38e3c74539ffb99
Source of Spectrum O1-57-1046-45
Synonyms 5a-(nitromethyl)-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b]chromen-11-ol
Wiley ID 1591563