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4-[(2S)-2-hydroxy-1-oxopropyl]benzonitrile
SpectraBase Compound ID KrNHxtsnuaE
InChI InChI=1S/C10H9NO2/c1-7(12)10(13)9-4-2-8(6-11)3-5-9/h2-5,7,12H,1H3/t7-/m0/s1
InChIKey YKZKRIPEEDZFCV-ZETCQYMHSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BN3Nz1t5MJW
Name 4-[(2S)-2-hydroxy-1-oxopropyl]benzonitrile
Alternate Name(s) 4-[(2S)-2-hydroxypropanoyl]benzonitrile 4-[(2S)-2-oxidanylpropanoyl]benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c1-7(12)10(13)9-4-2-8(6-11)3-5-9/h2-5,7,12H,1H3/t7-/m0/s1
InChIKey YKZKRIPEEDZFCV-ZETCQYMHSA-N
Molecular Weight 175.187 g/mol
SMILES O[C@](C(c1ccc(C#N)cc1)=O)(C)[H]
SPLASH splash10-0f89-1900000000-533712919151d68df3c6
Source of Spectrum QE-6-1494-4
Wiley ID 844647