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1,N-Ditritylhistamine

View entire compound with spectra: 1 NMR

1,N-Ditritylhistamine
SpectraBase Compound ID ITEs9GuH8s6
InChI InChI=1S/C43H37N3/c1-7-19-35(20-8-1)42(36-21-9-2-10-22-36,37-23-11-3-12-24-37)45-32-31-41-33-46(34-44-41)43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,33-34,45H,31-32H2
InChIKey FIAYFLAHSXIGHS-UHFFFAOYSA-N
Mol Weight 595.8 g/mol
Molecular Formula C43H37N3
Exact Mass 595.298748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RqBKwVBI6N
Name 1,N-Ditritylhistamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 595.298748203 u
Formula C43H37N3
InChI InChI=1S/C43H37N3/c1-7-19-35(20-8-1)42(36-21-9-2-10-22-36,37-23-11-3-12-24-37)45-32-31-41-33-46(34-44-41)43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,33-34,45H,31-32H2
InChIKey FIAYFLAHSXIGHS-UHFFFAOYSA-N
Molecular Weight 595.790 g/mol
SMILES C1=CC=CC=C1C(C1=CC=CC=C1)(C=1C=CC=CC1)N1C=C(N=C1)CCNC(C=1C=CC=CC1)(C1=CC=CC=C1)C=1C=CC=CC1