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2(5H)-Furanone, 4-amino-5,5-dimethyl-3-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

2(5H)-Furanone, 4-amino-5,5-dimethyl-3-(phenylthio)-
SpectraBase Compound ID HXCw2PFSWjw
InChI InChI=1S/C12H13NO2S/c1-12(2)10(13)9(11(14)15-12)16-8-6-4-3-5-7-8/h3-7H,13H2,1-2H3
InChIKey GTGCTTTWEVTGKK-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9PErLvd161
Name 2(5H)-Furanone, 4-amino-5,5-dimethyl-3-(phenylthio)-
Alternate Name(s) 4-Amino-5,5-dimethyl-3-(phenylsulfanyl)-2(5H)-furanone 4-Amino-5,5-dimethyl-3-phenylthio-2(5H)-furanone
CAS Registry Number 99564-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-12(2)10(13)9(11(14)15-12)16-8-6-4-3-5-7-8/h3-7H,13H2,1-2H3
InChIKey GTGCTTTWEVTGKK-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES NC1=C(C(OC1(C)C)=O)Sc1ccccc1
SPLASH splash10-000l-7950000000-1a35ec65049575cf12f1
Source of Spectrum AJ-60-2146-3
Wiley ID 1236983