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Barnidipine P1650

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Barnidipine P1650
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nNzldr8Gb5
Name Barnidipine P1650
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
Molecular Weight 491.544 g/mol
SMILES C=1(C(C(=C(C)NC1C)C(=O)OC)C=1C(N(=O)=O)=CC=CC1)C(OC1CN(CC=2C=CC=CC2)CC1)=O