For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Dobutamine 4AC
SpectraBase Compound ID 6NanbWpMF65
InChI InChI=1S/C26H31NO7/c1-17(6-7-22-8-11-24(12-9-22)32-19(3)29)27(18(2)28)15-14-23-10-13-25(33-20(4)30)26(16-23)34-21(5)31/h8-13,16-17H,6-7,14-15H2,1-5H3
InChIKey ZDHFPRSLOCLTIW-UHFFFAOYSA-N
Mol Weight 469.53 g/mol
Molecular Formula C26H31NO7
Exact Mass 469.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DRhxd0EyChJ
Name Dobutamine 4AC
Classification Sympathomimetic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 469.210052335 u
Formula C26H31NO7
InChI InChI=1S/C26H31NO7/c1-17(6-7-22-8-11-24(12-9-22)32-19(3)29)27(18(2)28)15-14-23-10-13-25(33-20(4)30)26(16-23)34-21(5)31/h8-13,16-17H,6-7,14-15H2,1-5H3
InChIKey ZDHFPRSLOCLTIW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 469.534 g/mol
Related CAS Registry Number(s) 34368-04-2
SMILES c1c(OC(C)=O)c(cc(c1)CCN(C(C)=O)C(CCc1ccc(cc1)OC(C)=O)C)OC(C)=O
SPLASH splash10-0bt9-6890000000-2424f630c7716d6c4e8b
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: U+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_3531