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5,11-Dihydro-11-[[4-(10-bromodecyl)]-1-piperrazinyl]acetyl]-6H-

View entire compound with spectra: 1 NMR

5,11-Dihydro-11-[[4-(10-bromodecyl)]-1-piperrazinyl]acetyl]-6H-
SpectraBase Compound ID Bzik5utCSYY
InChI InChI=1S/C28H38BrN5O2/c29-15-9-5-3-1-2-4-6-10-17-32-18-20-33(21-19-32)22-26(35)34-25-14-8-7-12-23(25)28(36)31-24-13-11-16-30-27(24)34/h7-8,11-14,16H,1-6,9-10,15,17-22H2,(H,31,36)
InChIKey OYLJEHSRBJDEGY-UHFFFAOYSA-N
Mol Weight 556.5 g/mol
Molecular Formula C28H38BrN5O2
Exact Mass 555.220888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7aNYdGJ5Ym
Name 5,11-Dihydro-11-[[4-(10-bromodecyl)]-1-piperrazinyl]acetyl]-6H-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.220888482 u
Formula C28H38BrN5O2
InChI InChI=1S/C28H38BrN5O2/c29-15-9-5-3-1-2-4-6-10-17-32-18-20-33(21-19-32)22-26(35)34-25-14-8-7-12-23(25)28(36)31-24-13-11-16-30-27(24)34/h7-8,11-14,16H,1-6,9-10,15,17-22H2,(H,31,36)
InChIKey OYLJEHSRBJDEGY-UHFFFAOYSA-N
Molecular Weight 556.549 g/mol
SMILES C1(NC2=C(N(C3=C1C=CC=C3)C(=O)CN1CCN(CCCCCCCCCCBr)CC1)N=CC=C2)=O