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4-(1,1,1,2,2,3,3-heptafluoropropyl)pyrimido[2,1-b]benzothiazole-2-one
SpectraBase Compound ID I2loqeea502
InChI InChI=1S/C13H5F7N2OS/c14-11(15,12(16,17)13(18,19)20)8-5-9(23)22-6-3-1-2-4-7(6)24-10(22)21-8/h1-5H
InChIKey JPXOATHJMFMBMZ-UHFFFAOYSA-N
Mol Weight 370.24 g/mol
Molecular Formula C13H5F7N2OS
Exact Mass 370.001081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X2US2CAGu
Name 4-(1,1,1,2,2,3,3-heptafluoropropyl)pyrimido[2,1-b]benzothiazole-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H5F7N2OS
InChI InChI=1S/C13H5F7N2OS/c14-11(15,12(16,17)13(18,19)20)8-5-9(23)22-6-3-1-2-4-7(6)24-10(22)21-8/h1-5H
InChIKey JPXOATHJMFMBMZ-UHFFFAOYSA-N
Molecular Weight 370.245 g/mol
SMILES C1=2N(C(C=C(N2)C(C(C(F)(F)F)(F)F)(F)F)=O)c2c(S1)cccc2
SPLASH splash10-00di-0059000000-39562b319cf4cbd24beb
Source of Spectrum KC-0-986-8
Synonyms 2-Heptafluoropropyl-9-thia-1,4a-diaza-fluoren-4-one 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-pyrimido[2,1-b][1,3]benzothiazolone 2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
Wiley ID 787816