Debug Info

object
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_id
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CL0VpMvEBWj
spectrumID
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CL0VpMvEBWj
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specType
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131072
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analyticalTechnique
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Mass Spectrum (GC)
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.alpha.-(Phenylthio) Hexyl Cyanide

View entire compound with spectra: 1 MS (GC)

.alpha.-(Phenylthio) Hexyl Cyanide
SpectraBase Compound ID 9HpuFSGdOSb
InChI InChI=1S/C13H17NS/c1-2-3-5-10-13(11-14)15-12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10H2,1H3
InChIKey CTGUAHAVSOINQE-UHFFFAOYSA-N
Mol Weight 219.35 g/mol
Molecular Formula C13H17NS
Exact Mass 219.108171 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CL0VpMvEBWj
Name .alpha.-(Phenylthio) Hexyl Cyanide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NS
InChI InChI=1S/C13H17NS/c1-2-3-5-10-13(11-14)15-12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10H2,1H3
InChIKey CTGUAHAVSOINQE-UHFFFAOYSA-N
Molecular Weight 219.346 g/mol
SMILES C(#N)C(Sc1ccccc1)CCCCC
SPLASH splash10-02t9-6960000000-7ffc7a64ee7a62a67a93
Source of Spectrum SK-20-1946-3d
Synonyms 2-(Phenylthio)heptanenitrile
Wiley ID 1733790
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