For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Estradiol 17-benzoate-3-p-phenylazobenzoate

View entire compound with spectra: 1 NMR

Estradiol 17-benzoate-3-p-phenylazobenzoate
SpectraBase Compound ID 89jygaZJt8a
InChI InChI=1S/C38H36N2O4/c1-38-23-22-32-31-19-17-30(43-36(41)26-12-15-29(16-13-26)40-39-28-10-6-3-7-11-28)24-27(31)14-18-33(32)34(38)20-21-35(38)44-37(42)25-8-4-2-5-9-25/h2-13,15-17,19,24,32-35H,14,18,20-23H2,1H3/b40-39+
InChIKey FHSMACNZJDHECF-XQQUEIPISA-N
Mol Weight 584.7 g/mol
Molecular Formula C38H36N2O4
Exact Mass 584.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID jf91hgnn1Z
Name Estradiol 17-benzoate-3-p-phenylazobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.267507643 u
Formula C38H36N2O4
InChI InChI=1S/C38H36N2O4/c1-38-23-22-32-31-19-17-30(43-36(41)26-12-15-29(16-13-26)40-39-28-10-6-3-7-11-28)24-27(31)14-18-33(32)34(38)20-21-35(38)44-37(42)25-8-4-2-5-9-25/h2-13,15-17,19,24,32-35H,14,18,20-23H2,1H3/b40-39+
InChIKey FHSMACNZJDHECF-XQQUEIPISA-N
Molecular Weight 584.716 g/mol
SMILES C1C2C(CCC3C2CCC2=C3C=CC(=C2)OC(=O)C2=CC=C(C=C2)\N=N\C2=CC=CC=C2)(C)C(C1)OC(=O)C1=CC=CC=C1