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(3R)-5-(1,3-Dithian-2-yl)-3-hydroxy-5-phenylpentanenitrile
SpectraBase Compound ID Fa45uMIRSvU
InChI InChI=1S/C14H17NOS2/c15-8-7-13(16)11-14(17-9-4-10-18-14)12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7,9-11H2/t13-/m1/s1
InChIKey PEIMMSJTTSRWBK-CYBMUJFWSA-N
Mol Weight 279.42 g/mol
Molecular Formula C14H17NOS2
Exact Mass 279.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7EAUO2zvVx
Name (3R)-5-(1,3-Dithian-2-yl)-3-hydroxy-5-phenylpentanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NOS2
InChI InChI=1S/C14H17NOS2/c15-8-7-13(16)11-14(17-9-4-10-18-14)12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7,9-11H2/t13-/m1/s1
InChIKey PEIMMSJTTSRWBK-CYBMUJFWSA-N
Molecular Weight 279.416 g/mol
SMILES O[C@](CC#N)(CC1(SCCCS1)c1ccccc1)[H]
SPLASH splash10-0umi-0960000000-d7d1776f44e82ff94d67
Source of Spectrum QC-10-4234-8
Synonyms (3R)-4-(2-phenyl-1,3-Dithian-2-yl)-3-hydroxy-butanenitrile (3S)-3-hydroxy-4-(2-phenyl-1,3-dithian-2-yl)butanenitrile (3R)-3-hydroxy-4-(2-phenyl-1,3-dithian-2-yl)butanenitrile (3R)-3-oxidanyl-4-(2-phenyl-1,3-dithian-2-yl)butanenitrile
Wiley ID 871683