Debug Info

object
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_id
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54yAoE5rNY5
spectrumID
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54yAoE5rNY5
cost
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specType
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131072
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WMSL3X:12727:1
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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exo-3-(Hydroxymethyl)-9-thiobicyclo[3.3.1]nonan-3-ol
SpectraBase Compound ID Dv1DNRrnuhx
InChI InChI=1S/C9H16O2S/c10-6-9(11)4-7-2-1-3-8(5-9)12-7/h7-8,10-11H,1-6H2
InChIKey KITXGYRPDRIBPD-UHFFFAOYSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54yAoE5rNY5
Name exo-3-(Hydroxymethyl)-9-thiobicyclo[3.3.1]nonan-3-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c10-6-9(11)4-7-2-1-3-8(5-9)12-7/h7-8,10-11H,1-6H2
InChIKey KITXGYRPDRIBPD-UHFFFAOYSA-N
Molecular Weight 188.285 g/mol
SMILES OC1(CO)CC2SC(C1)CCC2
SPLASH splash10-052b-7900000000-2d3cc0607c0c6f1463d9
Source of Spectrum KC-0-2268-12
Synonyms 3-(hydroxymethyl)-9-thiabicyclo[3.3.1]nonan-3-ol exo-3-(Hydroxymethyl)-9-thiabicyclo[3.3.1]nonan-3-ol
Wiley ID 786509
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