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ATRACURIUM-ARTIFACT
SpectraBase Compound ID 3wSsmj3oO3
InChI InChI=1S/C32H44NO8/c1-7-31(34)40-17-9-8-10-18-41-32(35)14-16-33(2)15-13-24-21-29(38-5)30(39-6)22-25(24)26(33)19-23-11-12-27(36-3)28(20-23)37-4/h7,11-12,20-22,26H,1,8-10,13-19H2,2-6H3/q+1
InChIKey JFTNADUFFQXKTQ-UHFFFAOYSA-N
Mol Weight 570.7 g/mol
Molecular Formula C32H44NO8
Exact Mass 570.306692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFmO9gtaXUI
Name ATRACURIUM-ARTIFACT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H43NO8
InChI InChI=1S/C32H44NO8/c1-7-31(34)40-17-9-8-10-18-41-32(35)14-16-33(2)15-13-24-21-29(38-5)30(39-6)22-25(24)26(33)19-23-11-12-27(36-3)28(20-23)37-4/h7,11-12,20-22,26H,1,8-10,13-19H2,2-6H3/q+1
InChIKey JFTNADUFFQXKTQ-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 570.703 g/mol
SMILES c1(ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)C=C)cc1OC)OC
SPLASH splash10-0a4i-2490000000-3a8532fac0cee7224432
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany