Debug Info

object
{15}
_id
:
Hp4yDlj9U33
spectrumID
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Hp4yDlj9U33
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:124741:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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5-Hydroxy-neobava-isoflavanone
SpectraBase Compound ID 6U4o21ezglz
InChI InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,21-23H,5,10H2,1-2H3
InChIKey LNXMEHXPWCVVID-UHFFFAOYSA-N
Mol Weight 340.38 g/mol
Molecular Formula C20H20O5
Exact Mass 340.131074 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp4yDlj9U33
Name 5-Hydroxy-neobava-isoflavanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O5
InChI InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,21-23H,5,10H2,1-2H3
InChIKey LNXMEHXPWCVVID-UHFFFAOYSA-N
Molecular Weight 340.375 g/mol
SMILES Oc1ccc2C(C(c3c(c(c(cc3)O)CC=C(C)C)O)COc2c1)=O
SPLASH splash10-000l-0926000000-a5a104398e74d0f6220c
Source of Spectrum G4-60-427-18
Synonyms 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-2,3-dihydrochromen-4-one 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-7-oxidanyl-2,3-dihydrochromen-4-one
Wiley ID 1606643
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