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Barnidipine
SpectraBase Compound ID IsSCp9n6tTI
InChI InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(21-11-7-8-12-22(21)30(33)34)24(18(2)28-17)27(32)36-20-13-14-29(16-20)15-19-9-5-4-6-10-19/h4-12,20,25,28H,13-16H2,1-3H3
InChIKey SXSGEQQEGMODGG-UHFFFAOYSA-N
Mol Weight 491.54 g/mol
Molecular Formula C27H29N3O6
Exact Mass 491.205636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I2icNwpEWl
Name Barnidipine
CAS Registry Number 104713-75-9
Classification Ca Antagonist
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 491.205635660 u
Formula C27H29N3O6
InChI InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(21-11-7-8-12-22(21)30(33)34)24(18(2)28-17)27(32)36-20-13-14-29(16-20)15-19-9-5-4-6-10-19/h4-12,20,25,28H,13-16H2,1-3H3
InChIKey SXSGEQQEGMODGG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 491.544 g/mol
SMILES C=1(C(C(=C(C)NC1C)C(=O)OC)c1c(N(=O)=O)cccc1)C(OC1CN(Cc2ccccc2)CC1)=O
SPLASH splash10-0a4i-4920000000-4d5f71208962b1d3fdad
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: G
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_4507