Debug Info

object
{15}
_id
:
K90oiKnIFMo
spectrumID
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K90oiKnIFMo
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:72214:1
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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spectralOutlier
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compound
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lastUpdated
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1735074081058
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Acetic acid (2,5,7,8-tetramethyl-2-methylol-chroman-6-yl) ester
SpectraBase Compound ID 3UqHtVE9x0M
InChI InChI=1S/C16H22O4/c1-9-10(2)15-13(6-7-16(5,8-17)20-15)11(3)14(9)19-12(4)18/h17H,6-8H2,1-5H3
InChIKey UCCNUYYMLBRKSS-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K90oiKnIFMo
Name Acetic acid (2,5,7,8-tetramethyl-2-methylol-chroman-6-yl) ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-9-10(2)15-13(6-7-16(5,8-17)20-15)11(3)14(9)19-12(4)18/h17H,6-8H2,1-5H3
InChIKey UCCNUYYMLBRKSS-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES OCC1(Oc2c(c(C)c(c(c2C)C)OC(=O)C)CC1)C
SPLASH splash10-0670-0590000000-16e66c287fff0bd0297e
Source of Spectrum JA-50-1129-0
Synonyms Acetic acid [2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester [2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate [2-(hydroxymethyl)-2,5,7,8-tetramethyl-chroman-6-yl] acetate
Wiley ID 1282101
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