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3-[4-(5-Benzylsulfanyl-tetrazol-1-yl)-phenyl]-5-ethyl-5H-furan-2-one
SpectraBase Compound ID 6yHHF31Ty7Y
InChI InChI=1S/C20H18N4O2S/c1-2-17-12-18(19(25)26-17)15-8-10-16(11-9-15)24-20(21-22-23-24)27-13-14-6-4-3-5-7-14/h3-12,17H,2,13H2,1H3
InChIKey CCPMKXDJSVANBR-UHFFFAOYSA-N
Mol Weight 378.45 g/mol
Molecular Formula C20H18N4O2S
Exact Mass 378.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3l3HDGLsznK
Name 3-[4-(5-Benzylsulfanyl-tetrazol-1-yl)-phenyl]-5-ethyl-5H-furan-2-one
Alternate Name(s) 2-Ethyl-4-[4-[5-(phenylmethylthio)-1-tetrazolyl]phenyl]-2H-furan-5-one 4-[4-(5-benzylsulfanyltetrazol-1-yl)phenyl]-2-ethyl-2H-furan-5-one 2-Ethyl-4-[4-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]phenyl]-2H-furan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O2S
InChI InChI=1S/C20H18N4O2S/c1-2-17-12-18(19(25)26-17)15-8-10-16(11-9-15)24-20(21-22-23-24)27-13-14-6-4-3-5-7-14/h3-12,17H,2,13H2,1H3
InChIKey CCPMKXDJSVANBR-UHFFFAOYSA-N
Molecular Weight 378.450 g/mol
SMILES c1([n](nnn1)-c1ccc(C=2C(OC(C2)CC)=O)cc1)SCc1ccccc1
SPLASH splash10-0006-9100000000-1be12edfda6cddaf0564
Source of Spectrum G-74-1176-20f
Wiley ID 1713829