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N-(10-Amino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)-2,2,2-trifluoroacetamide
SpectraBase Compound ID 6KnUm7rdEaV
InChI InChI=1S/C21H21F3N2O5/c1-29-16-8-10-4-7-14(26-20(28)21(22,23)24)12-9-15(27)13(25)6-5-11(12)17(10)19(31-3)18(16)30-2/h5-6,8-9,14H,4,7H2,1-3H3,(H2,25,27)(H,26,28)
InChIKey KPUQFELWTOHGSX-UHFFFAOYSA-N
Mol Weight 438.4 g/mol
Molecular Formula C21H21F3N2O5
Exact Mass 438.140256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRcBCjmxlmx
Name N-(10-Amino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)-2,2,2-trifluoroacetamide
CAS Registry Number 136570-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3N2O5
InChI InChI=1S/C21H21F3N2O5/c1-29-16-8-10-4-7-14(26-20(28)21(22,23)24)12-9-15(27)13(25)6-5-11(12)17(10)19(31-3)18(16)30-2/h5-6,8-9,14H,4,7H2,1-3H3,(H2,25,27)(H,26,28)
InChIKey KPUQFELWTOHGSX-UHFFFAOYSA-N
Molecular Weight 438.403 g/mol
SMILES NC1=CC=C2C(C(CCc3c2c(c(c(c3)OC)OC)OC)NC(C(F)(F)F)=O)=CC1=O
SPLASH splash10-000i-4551900000-30247b37e6685f3108d8
Source of Spectrum NP-15-1406-0
Synonyms 7-TFA-colchicinamide N-(10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-2,2,2-trifluoroacetamide N-(10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-2,2,2-trifluoro-acetamide N-(10-azanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-2,2,2-tris(fluoranyl)ethanamide
Wiley ID 1112294