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3-Nitro-4-[(2,4,4-trimethylpentan-2-yl)amino]-2H-thiochromen-2-one
SpectraBase Compound ID CUi6CewZNwT
InChI InChI=1S/C17H22N2O3S/c1-16(2,3)10-17(4,5)18-13-11-8-6-7-9-12(11)23-15(20)14(13)19(21)22/h6-9,18H,10H2,1-5H3
InChIKey CDHBPCMYZCMSBN-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C17H22N2O3S
Exact Mass 334.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AziTIOOMgdM
Name 3-Nitro-4-[(2,4,4-trimethylpentan-2-yl)amino]-2H-thiochromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-16(2,3)10-17(4,5)18-13-11-8-6-7-9-12(11)23-15(20)14(13)19(21)22/h6-9,18H,10H2,1-5H3
InChIKey CDHBPCMYZCMSBN-UHFFFAOYSA-N
Molecular Weight 334.434 g/mol
SMILES N(C=1c2ccccc2SC(=O)C1N(=O)=O)C(CC(C)(C)C)(C)C
SPLASH splash10-0a4l-9400000000-b50384e6042c89534791
Source of Spectrum IY-2-5204-2
Synonyms 3-Nitro-4-(2,4,4-trimethylpentan-2-ylamino)-1-benzothiopyran-2-one 3-Nitro-4-(2,4,4-trimethylpentan-2-ylamino)thiochromen-2-one
Wiley ID 1660025