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Dobutamine-M (O-methyl-) 2AC
SpectraBase Compound ID IZtcyLwyUQT
InChI InChI=1S/C23H29NO5/c1-16(12-13-19-8-5-6-10-21(19)29-18(3)26)24(17(2)25)15-14-20-9-7-11-22(28-4)23(20)27/h5-11,16,27H,12-15H2,1-4H3
InChIKey DYJPKPQGJRBJKF-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Hpu6NjHSi
Name Dobutamine-M (O-methyl-) 2AC
Classification Sympathomimetic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 399.204573033 u
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-16(12-13-19-8-5-6-10-21(19)29-18(3)26)24(17(2)25)15-14-20-9-7-11-22(28-4)23(20)27/h5-11,16,27H,12-15H2,1-4H3
InChIKey DYJPKPQGJRBJKF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 399.487 g/mol
Related CAS Registry Number(s) 34368-04-2
SMILES c1(c(cccc1)OC(=O)C)CCC(N(CCc1cccc(OC)c1O)C(C)=O)C
SPLASH splash10-0zfr-4960000000-e38cb695859b2c45688a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2981