Debug Info

object
{15}
_id
:
9YORonBcXVi
spectrumID
:
9YORonBcXVi
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMSL3X:96515:1
hasStructureAssignments
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properties
{11}
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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11-(1,3-Benzodioxol-5-yl)undecanoic acid
SpectraBase Compound ID BMD5HFTL6S3
InChI InChI=1S/C18H26O4/c19-18(20)10-8-6-4-2-1-3-5-7-9-15-11-12-16-17(13-15)22-14-21-16/h11-13H,1-10,14H2,(H,19,20)
InChIKey UHSSYJFFFJANSD-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YORonBcXVi
Name 11-(1,3-benzodioxol-5-yl)undecanoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4
InChI InChI=1S/C18H26O4/c19-18(20)10-8-6-4-2-1-3-5-7-9-15-11-12-16-17(13-15)22-14-21-16/h11-13H,1-10,14H2,(H,19,20)
InChIKey UHSSYJFFFJANSD-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES OC(CCCCCCCCCCc1cc2c(OCO2)cc1)=O
SPLASH splash10-052r-0908000000-6bb598d52093ba28d89e
Source of Spectrum E1-45-691-0
Wiley ID 1553749
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