Debug Info

object
{15}
_id
:
9SZYprzelDF
spectrumID
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9SZYprzelDF
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:161634:1
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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1-(1-(4-Methoxyphenyl)-2-(phenylsulfonyl)ethyl)indoline
SpectraBase Compound ID 4MQSpAaPqR8
InChI InChI=1S/C23H23NO3S/c1-27-20-13-11-19(12-14-20)23(17-28(25,26)21-8-3-2-4-9-21)24-16-15-18-7-5-6-10-22(18)24/h2-14,23H,15-17H2,1H3
InChIKey PRNAWXADFFZHSW-UHFFFAOYSA-N
Mol Weight 393.5 g/mol
Molecular Formula C23H23NO3S
Exact Mass 393.139865 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SZYprzelDF
Name 1-(1-(4-Methoxyphenyl)-2-(phenylsulfonyl)ethyl)indoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO3S
InChI InChI=1S/C23H23NO3S/c1-27-20-13-11-19(12-14-20)23(17-28(25,26)21-8-3-2-4-9-21)24-16-15-18-7-5-6-10-22(18)24/h2-14,23H,15-17H2,1H3
InChIKey PRNAWXADFFZHSW-UHFFFAOYSA-N
Molecular Weight 393.501 g/mol
SMILES C(c1ccc(cc1)OC)(CS(c1ccccc1)(=O)=O)N1CCc2c1cccc2
SPLASH splash10-001i-0941000000-a0bcac24a1dce1a3d1d9
Source of Spectrum ASC-361-SM20-4aak
Wiley ID 1814020
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