Debug Info

object
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_id
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3BMupuDiEq
spectrumID
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3BMupuDiEq
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specType
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MS (GC)
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Mass Spectrum (GC)
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Methyl 2-(4-ethyl-phenylsulfanyl)-benzoate
SpectraBase Compound ID GubsbzCTtkZ
InChI InChI=1S/C16H16O2S/c1-3-12-8-10-13(11-9-12)19-15-7-5-4-6-14(15)16(17)18-2/h4-11H,3H2,1-2H3
InChIKey CQLTYBKUIGOYKR-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BMupuDiEq
Name Methyl 2-(4-ethyl-phenylsulfanyl)-benzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-3-12-8-10-13(11-9-12)19-15-7-5-4-6-14(15)16(17)18-2/h4-11H,3H2,1-2H3
InChIKey CQLTYBKUIGOYKR-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES c1(c(Sc2ccc(cc2)CC)cccc1)C(=O)OC
SPLASH splash10-00fr-0390000000-b95a8468e74d86c5be38
Source of Spectrum F-65-8799-5k
Wiley ID 1679246
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