SpectraBase Spectrum ID |
33PxEmRNZX6 |
Name |
Ethaverine-M (O-deethyl-HO-) 2AC |
Classification |
Antispasmotic |
Comments |
Structure comment: Wiggly bond = unknown position of substituent |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
467.194402271 u |
Formula |
C26H29NO7 |
InChI |
InChI=1S/C26H29NO7/c1-6-30-22-15-20-19(14-23(22)33-16(4)28)9-10-27-21(20)11-18-12-24(31-7-2)26(32-8-3)25(13-18)34-17(5)29/h9-10,12-15H,6-8,11H2,1-5H3 |
InChIKey |
GQZKISYHGWEAJO-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
467.518 g/mol |
SMILES |
c1c2ccnc(Cc3cc(c(OCC)c(c3)OCC)OC(C)=O)c2cc(OCC)c1OC(C)=O |
SPLASH |
splash10-0aor-3239800000-ff6511ddf7744802d959 |
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_3671 |