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2(1H)-Azocinone, 3,4,5,6-tetrahydro-3-(phenylsulfonyl)-, (Z)-
SpectraBase Compound ID ChO9IXQ3oq5
InChI InChI=1S/C13H15NO3S/c15-13-12(9-5-2-6-10-14-13)18(16,17)11-7-3-1-4-8-11/h1,3-4,6-8,10,12H,2,5,9H2,(H,14,15)/b10-6-
InChIKey WOHXDGNIEQLJIA-POHAHGRESA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C1t8YcAIqt
Name 2(1H)-Azocinone, 3,4,5,6-tetrahydro-3-(phenylsulfonyl)-, (Z)-
Alternate Name(s) (Z)-3-Phenylsulfonyl-3,4,5,6-tetrahydroazocin-2(1H)-one 3-(Phenylsulfonyl)-3,4,5,6-tetrahydro-2(1H)-azocinone
CAS Registry Number 105495-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c15-13-12(9-5-2-6-10-14-13)18(16,17)11-7-3-1-4-8-11/h1,3-4,6-8,10,12H,2,5,9H2,(H,14,15)/b10-6-
InChIKey WOHXDGNIEQLJIA-POHAHGRESA-N
Molecular Weight 265.327 g/mol
SMILES N1\C=C/CCCC(C1=O)S(=O)(=O)c1ccccc1
SPLASH splash10-006t-9820000000-0c8c31be1e6085c98a53
Source of Spectrum B-39-697-26
Wiley ID 1268822