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Warfarin TMS
SpectraBase Compound ID 5mvjUXeBX08
InChI InChI=1S/C22H24O4Si/c1-15(23)14-18(16-10-6-5-7-11-16)20-21(26-27(2,3)4)17-12-8-9-13-19(17)25-22(20)24/h5-13,18H,14H2,1-4H3
InChIKey ZGTLYCBMQNUUBB-UHFFFAOYSA-N
Mol Weight 380.52 g/mol
Molecular Formula C22H24O4Si
Exact Mass 380.144386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvLAtU3iWAW
Name 3-(3-keto-1-phenyl-butyl)-4-trimethylsilyloxy-coumarin
Alternate Name(s) 3-(3-oxidanylidene-1-phenyl-butyl)-4-trimethylsilyloxy-chromen-2-one 3-(3-oxo-1-phenyl-butyl)-4-trimethylsilyloxy-chromen-2-one 3-(3-oxo-1-phenylbutyl)-4-trimethylsilyloxy-1-benzopyran-2-one 3-(3-Oxo-1-phenylbutyl)-4-[(trimethylsilyl)oxy]-2H-chromen-2-one Warfarin, O-trimethylsilyl-
CAS Registry Number 36307-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O4Si
InChI InChI=1S/C22H24O4Si/c1-15(23)14-18(16-10-6-5-7-11-16)20-21(26-27(2,3)4)17-12-8-9-13-19(17)25-22(20)24/h5-13,18H,14H2,1-4H3
InChIKey ZGTLYCBMQNUUBB-UHFFFAOYSA-N
Molecular Weight 380.515 g/mol
SMILES c1c2c(ccc1)C(=C(C(O2)=O)C(CC(=O)C)c1ccccc1)O[Si](C)(C)C
SPLASH splash10-009i-8956000000-758bdc71fe91f41453bd
Source of Spectrum HE-1986-1664-0
Wiley ID 1359823