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(4E)-8-methyl-4-(2-thenylidene)-8-azabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID K3Xp9FTojbd
InChI InChI=1S/C13H15NOS/c1-14-9-4-5-12(14)11(13(15)7-9)8-10-3-2-6-16-10/h2-3,6,8-9,12H,4-5,7H2,1H3/b11-8+/t9-,12+/m1/s1
InChIKey PJVCTSFWDUACLH-GGHOLALISA-N
Mol Weight 233.33 g/mol
Molecular Formula C13H15NOS
Exact Mass 233.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4apfydMNNI
Name (4E)-8-methyl-4-(2-thenylidene)-8-azabicyclo[3.2.1]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NOS
InChI InChI=1S/C13H15NOS/c1-14-9-4-5-12(14)11(13(15)7-9)8-10-3-2-6-16-10/h2-3,6,8-9,12H,4-5,7H2,1H3/b11-8+/t9-,12+/m1/s1
InChIKey PJVCTSFWDUACLH-GGHOLALISA-N
Molecular Weight 233.329 g/mol
SMILES [C@]12(\C(C(C[C@](N2C)(CC1)[H])=O)=C/c1sccc1)[H]
SPLASH splash10-0a6u-6970000000-174da2d496c7568ca153
Source of Spectrum MZ-34-1940-3
Synonyms (4E)-8-methyl-4-(2-thienylmethylene)-8-azabicyclo[3.2.1]octan-3-one (4E)-8-methyl-4-(thiophen-2-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one
Wiley ID 1582287