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(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexadecanoate

View entire compound with spectra: 2 MS (GC)

(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexadecanoate
SpectraBase Compound ID 9GBAU42mCsY
InChI InChI=1S/C35H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-32(38)39-35-31-26-21-28-36-37(31)34(30-24-18-15-19-25-30)33(35)29-22-16-14-17-23-29/h14-19,21-26,28H,2-13,20,27H2,1H3
InChIKey JGSBERGCSSECLU-UHFFFAOYSA-N
Mol Weight 524.7 g/mol
Molecular Formula C35H44N2O2
Exact Mass 524.340279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Qvkme1ywLc
Name (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexadecanoate
Alternate Name(s) Hexadecanoic acid (6,7-diphenyl-5-pyrrolo[1,2-b]pyridazinyl) ester 6,7-Diphenylpyrrolo[1,2-b]pyridazin-5-yl Palmitate Palmitic acid (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H44N2O2
InChI InChI=1S/C35H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-32(38)39-35-31-26-21-28-36-37(31)34(30-24-18-15-19-25-30)33(35)29-22-16-14-17-23-29/h14-19,21-26,28H,2-13,20,27H2,1H3
InChIKey JGSBERGCSSECLU-UHFFFAOYSA-N
Molecular Weight 524.749 g/mol
SMILES C1=N[n]2c(c(OC(=O)CCCCCCCCCCCCCCC)c(-c3ccccc3)c2-c2ccccc2)C=C1
SPLASH splash10-000i-0090000000-ca1e40bda52faeb92cd4
Source of Spectrum APP-334-23-5
Wiley ID 1770485