Debug Info

object
{15}
_id
:
H5jSkCCFpir
spectrumID
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H5jSkCCFpir
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:116730:1
hasStructureAssignments
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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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compound
{10}
lastUpdated
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1735074081058
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false

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3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Isobutyrate
SpectraBase Compound ID JnA1iqcqCtC
InChI InChI=1S/C19H22O5/c1-11(2)18(23)24-10-19(3,4)9-14-15(20)12-7-5-6-8-13(12)16(21)17(14)22/h5-8,11,22H,9-10H2,1-4H3
InChIKey KWJAQXRPDQZLPW-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C19H22O5
Exact Mass 330.146724 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5jSkCCFpir
Name 3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Isobutyrate
Appearance Yellow needles
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5
InChI InChI=1S/C19H22O5/c1-11(2)18(23)24-10-19(3,4)9-14-15(20)12-7-5-6-8-13(12)16(21)17(14)22/h5-8,11,22H,9-10H2,1-4H3
InChIKey KWJAQXRPDQZLPW-UHFFFAOYSA-N
Instrument Name GCMS-QP-5050A
Ionization Type EI
Literature Reference DOI 10.1021/jm901545z
Molecular Weight 330.380 g/mol
SMILES OC1=C(C(c2ccccc2C1=O)=O)CC(COC(C(C)C)=O)(C)C
SPLASH splash10-000l-0931000000-99cd5004aa92624dcc13
Source of Spectrum AF-53-SM2-20
Wiley ID 1846328
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