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2,5-Dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-benzo[h]chromen-6-yl 2,2,3,3,4,4,4-heptafluorobutanoate
SpectraBase Compound ID 9dpSN0MQA3s
InChI InChI=1S/C35H47F7O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-32(6)21-19-26-25(5)29(27-17-7-8-18-28(27)30(26)45-32)44-31(43)33(36,37)34(38,39)35(40,41)42/h7-8,17-18,22-24H,9-16,19-21H2,1-6H3
InChIKey UQUBJCQTVUKVNB-UHFFFAOYSA-N
Mol Weight 648.7 g/mol
Molecular Formula C35H47F7O3
Exact Mass 648.341343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YJ8knPTdR7
Name 2,5-Dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-benzo[h]chromen-6-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Alternate Name(s) Vitamin k1(20),heptafluorobutyric deriv. 2,2,3,3,4,4,4-heptafluorobutanoic acid [2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrobenzo[h][1]benzopyran-6-yl] ester [2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,4,4,4-heptafluorobutanoate [2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate
CAS Registry Number 178820-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H47F7O3
InChI InChI=1S/C35H47F7O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-32(6)21-19-26-25(5)29(27-17-7-8-18-28(27)30(26)45-32)44-31(43)33(36,37)34(38,39)35(40,41)42/h7-8,17-18,22-24H,9-16,19-21H2,1-6H3
InChIKey UQUBJCQTVUKVNB-UHFFFAOYSA-N
Molecular Weight 648.747 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(Oc1c(c2CCC(Oc2c2c1cccc2)(CCCC(CCCC(CCCC(C)C)C)C)C)C)=O)(F)F
SPLASH splash10-0aw9-9002001000-84c725df5a046b07873b
Source of Spectrum O-31-655-0
Wiley ID 1413017