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1H-Isoindol-1-one, 3-(1,3-dihydro-3-hydroxy-1-isobenzofuranyl)-2,3-dihydro-2-(3-thienylmethyl)-
SpectraBase Compound ID E4OkalWpWrb
InChI InChI=1S/C21H17NO3S/c23-20-16-7-3-1-5-14(16)18(22(20)11-13-9-10-26-12-13)19-15-6-2-4-8-17(15)21(24)25-19/h1-10,12,18-19,21,24H,11H2
InChIKey SJMLDFZBIMAMFM-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C21H17NO3S
Exact Mass 363.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkqloyJkVQX
Name 1H-Isoindol-1-one, 3-(1,3-dihydro-3-hydroxy-1-isobenzofuranyl)-2,3-dihydro-2-(3-thienylmethyl)-
Alternate Name(s) 3-(3-Hydroxy-1,3-dihydro-1-isobenzofurannyl)-2-(3-thienyl-methyl)isoindolin-1-one 3-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-2-(3-thienylmethyl)-1-isoindolinone
CAS Registry Number 129820-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO3S
InChI InChI=1S/C21H17NO3S/c23-20-16-7-3-1-5-14(16)18(22(20)11-13-9-10-26-12-13)19-15-6-2-4-8-17(15)21(24)25-19/h1-10,12,18-19,21,24H,11H2
InChIKey SJMLDFZBIMAMFM-UHFFFAOYSA-N
Molecular Weight 363.431 g/mol
SMILES OC1OC(C2N(C(c3ccccc23)=O)Cc2cscc2)c2c1cccc2
SPLASH splash10-004i-3290000000-a4b841816468d2eddbbb
Source of Spectrum I-68-850-2
Wiley ID 1350273