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Ropivacaine
SpectraBase Compound ID G4FDNn89Me8
InChI InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)
InChIKey ZKMNUMMKYBVTFN-UHFFFAOYSA-N
Mol Weight 274.41 g/mol
Molecular Formula C17H26N2O
Exact Mass 274.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJVqdK3iAqm
Name Ropivacaine
CAS Registry Number 84057-95-4
Classification Pharmaceutical drug, local anesthetic
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.204513464 u
Formula C17H26N2O
InChI InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)
InChIKey ZKMNUMMKYBVTFN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 274.408 g/mol
Nominal Mass 274 u
Quality 910
Retention Index 2193
SMILES C1(NC(C2N(CCCC2)CCC)=O)=C(C=CC=C1C)C
SPLASH splash10-004i-2900000000-e6ba69886c4867e7f8e3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ropivacain N-(2,6-Dimethylphenyl)-1-propyl-piperidine-2-carboxamide
Technique GC/MS
Wiley ID DD2024_003861