Debug Info

object
{15}
_id
:
381lCLLfKS
spectrumID
:
381lCLLfKS
cost
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1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMSL3X:130108:1
hasStructureAssignments
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false
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
:
1735074081058
isDeprecated
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false

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5-(4-METHOXYPHENYL)-4-METHYL-2-PYRIDYL-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID KZPTtXu7eLo
InChI InChI=1S/C14H12F3NO4S/c1-9-7-13(22-23(19,20)14(15,16)17)18-8-12(9)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKey ZVZQXKJDWVMZRD-UHFFFAOYSA-N
Mol Weight 347.31 g/mol
Molecular Formula C14H12F3NO4S
Exact Mass 347.043914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 381lCLLfKS
Name 4-Methyl-5-(p-methoxyphenyl)-2-pyridyl (trifluoromethane)-sulfonate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3NO4S
InChI InChI=1S/C14H12F3NO4S/c1-9-7-13(22-23(19,20)14(15,16)17)18-8-12(9)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKey ZVZQXKJDWVMZRD-UHFFFAOYSA-N
Molecular Weight 347.308 g/mol
SMILES C(S(Oc1ncc(c(c1)C)-c1ccc(cc1)OC)(=O)=O)(F)(F)F
SPLASH splash10-03dr-0891000000-1f27946a86d1b3c72dbf
Source of Spectrum AH-134-578-8
Synonyms 5-(4-Methoxyphenyl)-4-methyl-2-pyridinyl trifluoromethanesulfonate
Wiley ID 1546887