Debug Info

object
{15}
_id
:
KlZPPsZDPtu
spectrumID
:
KlZPPsZDPtu
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMSL3X:50695:1
hasStructureAssignments
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false
properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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3-(3'-Chloropropyl)-7-methoxy-4H-1-benzopyran-4-one
SpectraBase Compound ID EAfq1JtWdk5
InChI InChI=1S/C13H13ClO3/c1-16-10-4-5-11-12(7-10)17-8-9(13(11)15)3-2-6-14/h4-5,7-8H,2-3,6H2,1H3
InChIKey UIVSDGYLXGSZQZ-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlZPPsZDPtu
Name 3-(3'-Chloropropyl)-7-methoxy-4H-1-benzopyran-4-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-16-10-4-5-11-12(7-10)17-8-9(13(11)15)3-2-6-14/h4-5,7-8H,2-3,6H2,1H3
InChIKey UIVSDGYLXGSZQZ-UHFFFAOYSA-N
Molecular Weight 252.697 g/mol
SMILES c12C(C(CCCCl)=COc2cc(cc1)OC)=O
SPLASH splash10-014i-0290000000-044266c6655aad2c0c8f
Source of Spectrum B-31-1056-0
Synonyms 3-(3-Chloropropyl)-7-methoxy-4H-chromen-4-one
Wiley ID 1255278
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