Debug Info

object
{15}
_id
:
L93oflFI2go
spectrumID
:
L93oflFI2go
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:364589:1
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
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lastUpdated
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1735074081058
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false

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Diethyl-4-thiocyanoto-m-tolyl ester of phosphoric acid
SpectraBase Compound ID F0VUWbTqfqB
InChI InChI=1S/C12H16NO4PS/c1-4-15-18(14,16-5-2)17-11-6-7-12(19-9-13)10(3)8-11/h6-8H,4-5H2,1-3H3
InChIKey ODJUIPAXFVPLNX-UHFFFAOYSA-N
Mol Weight 301.3 g/mol
Molecular Formula C12H16NO4PS
Exact Mass 301.053766 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L93oflFI2go
Name Diethyl-4-thiocyanoto-m-tolyl ester of phosphoric acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16NO4PS
InChI InChI=1S/C12H16NO4PS/c1-4-15-18(14,16-5-2)17-11-6-7-12(19-9-13)10(3)8-11/h6-8H,4-5H2,1-3H3
InChIKey ODJUIPAXFVPLNX-UHFFFAOYSA-N
Molecular Weight 301.297 g/mol
SMILES c1(OP(=O)(OCC)OCC)cc(C)c(cc1)SC#N
SPLASH splash10-0uxs-4934000000-b560ab115d8f90f7247d
Source of Spectrum RB-1982-15428-0
Synonyms 4-(cyanosulfanyl)-3-methylphenyl diethyl phosphate
Wiley ID 1303612
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