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Amiodarone

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Amiodarone
SpectraBase Compound ID JkMvngyAVfG
InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
InChIKey IYIKLHRQXLHMJQ-UHFFFAOYSA-N
Mol Weight 645.32 g/mol
Molecular Formula C25H29I2NO3
Exact Mass 645.023684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Hn0tC8JFaX
Name AMIODARONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H29I2NO3
InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
InChIKey IYIKLHRQXLHMJQ-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 645.320 g/mol
SMILES c1cc2oc(c(C(c3cc(I)c(OCCN(CC)CC)c(I)c3)=O)c2cc1)CCCC
SPLASH splash10-000i-9100000000-7f11f501736dec1045ee
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