Debug Info

object
{15}
_id
:
FAMTRJml3C2
spectrumID
:
FAMTRJml3C2
cost
:
1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMSL3X:66304:1
hasStructureAssignments
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false
properties
{12}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
:
Mass Spectrum (GC)
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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1,2,3,3a-cis,4,5,12b-cis,12c-cis-Octahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
SpectraBase Compound ID DZBWGvhaVMB
InChI InChI=1S/C16H17NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h6-7,9-10,15H,1-5,8H2/t9-,10+,15+/m1/s1
InChIKey KPLGCRUXOUETQE-FTGAXOIBSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAMTRJml3C2
Name 1,2,3,3a-cis,4,5,12b-cis,12c-cis-Octahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h6-7,9-10,15H,1-5,8H2/t9-,10+,15+/m1/s1
InChIKey KPLGCRUXOUETQE-FTGAXOIBSA-N
Molecular Weight 271.316 g/mol
SMILES C1(N2[C@@]3([C@](c4cc5OCOc5cc14)(CCC[C@]3([H])CC2)[H])[H])=O
SPLASH splash10-00di-0090000000-5edc73e4b59aaa1032ce
Source of Spectrum SO-0-601-75
Synonyms (3aR*,11bS*,11cS*)-1,2,3,3a,4,5,11b,11c-Octahydro-9,10-(methylenedioxy)pyrrolo[3,2,1-de]phenanthridin-7-one (3aR,12bS,12cS)-1,2,3,3a,4,5,12b,12c-octahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
Wiley ID 1544253
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