Debug Info

object
{15}
_id
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8MYMhpmVZfi
spectrumID
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8MYMhpmVZfi
cost
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specType
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131072
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dbLocation
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WMSL3X:151822:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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N-(Toluenesulfonyl)-1-(phenylethynyl)-2-oxo-6-azabicyclo[3.3.0]oct-1(8)-ene
SpectraBase Compound ID JQxYxp8Dd1I
InChI InChI=1S/C22H19NO3S/c1-16-7-10-19(11-8-16)27(25,26)23-14-18-13-22(24)20(21(18)15-23)12-9-17-5-3-2-4-6-17/h2-8,10-11,18H,13-15H2,1H3
InChIKey UFGABSOHKAFKJL-UHFFFAOYSA-N
Mol Weight 377.46 g/mol
Molecular Formula C22H19NO3S
Exact Mass 377.108565 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MYMhpmVZfi
Name N-(Toluenesulfonyl)-1-(phenylethynyl)-2-oxo-6-azabicyclo[3.3.0]oct-1(8)-ene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO3S
InChI InChI=1S/C22H19NO3S/c1-16-7-10-19(11-8-16)27(25,26)23-14-18-13-22(24)20(21(18)15-23)12-9-17-5-3-2-4-6-17/h2-8,10-11,18H,13-15H2,1H3
InChIKey UFGABSOHKAFKJL-UHFFFAOYSA-N
Molecular Weight 377.458 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CC2CC(C(=C12)C#Cc1ccccc1)=O
SPLASH splash10-00b9-0169000000-b382caea976f2a7136ae
Source of Spectrum QE-14-9141-3g
Wiley ID 1692323
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