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2-(1,3-benzothiazol-2-yl)-3-methyl-2-penta-3,4-dienol
SpectraBase Compound ID Fg9Vs1Shs9d
InChI InChI=1S/C13H13NOS/c1-4-9(2)13(3,15)12-14-10-7-5-6-8-11(10)16-12/h5-8,15H,1H2,2-3H3
InChIKey LHXHCJMWODMYKD-UHFFFAOYSA-N
Mol Weight 231.31 g/mol
Molecular Formula C13H13NOS
Exact Mass 231.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FehIOMM5n2f
Name 2-(1,3-benzothiazol-2-yl)-3-methyl-2-penta-3,4-dienol
Alternate Name(s) 2-(1,3-benzothiazol-2-yl)-3-methyl-penta-3,4-dien-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NOS
InChI InChI=1S/C13H13NOS/c1-4-9(2)13(3,15)12-14-10-7-5-6-8-11(10)16-12/h5-8,15H,1H2,2-3H3
InChIKey LHXHCJMWODMYKD-UHFFFAOYSA-N
Molecular Weight 231.313 g/mol
SMILES OC(C)(C(=C=C)C)c1sc2c(n1)cccc2
SPLASH splash10-03dr-0790000000-177b86b8a57bd7ff7066
Source of Spectrum U1-2002-3470-5
Wiley ID 1523261