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Aerugine
SpectraBase Compound ID BWrc0TjkuAN
InChI InChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2
InChIKey CQCVSXXDUMTFCR-UHFFFAOYSA-N
Mol Weight 209.26 g/mol
Molecular Formula C10H11NO2S
Exact Mass 209.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2lcJdy9xF3
Name Aerugine
Alternate Name(s) 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol 4-(Hydroxymethyl)-2-(2'-hydroxyphenyl)-2-thiazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO2S
InChI InChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2
InChIKey CQCVSXXDUMTFCR-UHFFFAOYSA-N
Molecular Weight 209.263 g/mol
SMILES OCC1N=C(c2c(cccc2)O)SC1
SPLASH splash10-056r-2940000000-195efa3a59e4cfa9586c
Source of Spectrum X4-23-465-0
Wiley ID 1586085