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3-(heptafluoropropyl)-7-methoxy-4-(trifluoromethyl)coumarin
SpectraBase Compound ID EOYnTima9tO
InChI InChI=1S/C14H6F10O3/c1-26-5-2-3-6-7(4-5)27-10(25)9(8(6)12(17,18)19)11(15,16)13(20,21)14(22,23)24/h2-4H,1H3
InChIKey TVDABRWQCKHOPB-UHFFFAOYSA-N
Mol Weight 412.18 g/mol
Molecular Formula C14H6F10O3
Exact Mass 412.015726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN5iQjbdxYL
Name 3-(heptafluoropropyl)-7-methoxy-4-(trifluoromethyl)coumarin
Alternate Name(s) 3-(1,1,2,2,3,3,3-heptafluoropropyl)-7-methoxy-4-(trifluoromethyl)-2H-chromen-2-one
CAS Registry Number 133721-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H6F10O3
InChI InChI=1S/C14H6F10O3/c1-26-5-2-3-6-7(4-5)27-10(25)9(8(6)12(17,18)19)11(15,16)13(20,21)14(22,23)24/h2-4H,1H3
InChIKey TVDABRWQCKHOPB-UHFFFAOYSA-N
Molecular Weight 412.183 g/mol
SMILES C1(C(C(C(F)(F)F)(F)F)(F)F)=C(C(F)(F)F)c2ccc(cc2OC1=O)OC
SPLASH splash10-00kf-0090200000-30182a93306e49908b5f
Source of Spectrum K-125-470-2
Wiley ID 1374248