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Benzeneacetonitrile, .alpha.-[2-hydroxy-3-(phenylseleno)propyl]-
SpectraBase Compound ID HeAywuIMIBi
InChI InChI=1S/C17H17NOSe/c18-12-15(14-7-3-1-4-8-14)11-16(19)13-20-17-9-5-2-6-10-17/h1-10,15-16,19H,11,13H2
InChIKey JKJCXEFUYBZPNS-UHFFFAOYSA-N
Mol Weight 330.3 g/mol
Molecular Formula C17H17NOSe
Exact Mass 331.047536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJnpWgAjdmP
Name Benzeneacetonitrile, .alpha.-[2-hydroxy-3-(phenylseleno)propyl]-
Alternate Name(s) 2-Phenyl-4-hydroxy-5-(phenylseleno)pentanenitrile 4-Hydroxy-2-phenyl-5-(phenylselanyl)pentanenitrile
CAS Registry Number 127560-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NOSe
InChI InChI=1S/C17H17NOSe/c18-12-15(14-7-3-1-4-8-14)11-16(19)13-20-17-9-5-2-6-10-17/h1-10,15-16,19H,11,13H2
InChIKey JKJCXEFUYBZPNS-UHFFFAOYSA-N
Molecular Weight 330.301 g/mol
SMILES OC(C[Se]c1ccccc1)CC(C#N)c1ccccc1
SPLASH splash10-056u-5900000000-95a4b0d958ef97c2ff27
Source of Spectrum F-45-6830-7
Wiley ID 1328615