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

*Links on SpectraBase are not permalinks.

(2S,4R)-2-Ethoxy-4-(2'-azidophenyl)-8-[(2'-azidophenyl)methylene]-6-[2'-(N-acetylamino)ethyl]-2,3,4,5,6,7-hexahydrobenzopyran

View entire compound with spectra: 1 MS (GC)

(2S,4R)-2-Ethoxy-4-(2'-azidophenyl)-8-[(2'-azidophenyl)methylene]-6-[2'-(N-acetylamino)ethyl]-2,3,4,5,6,7-hexahydrobenzopyran
SpectraBase Compound ID EmCZXZn0U1L
InChI InChI=1S/C28H31N7O3/c1-3-37-27-17-23(22-9-5-7-11-26(22)33-35-30)24-15-19(12-13-31-18(2)36)14-21(28(24)38-27)16-20-8-4-6-10-25(20)32-34-29/h4-11,16,19,23,27H,3,12-15,17H2,1-2H3,(H,31,36)/b21-16-/t19?,23-,27+/m1/s1
InChIKey XTZUEBSMVLATTF-SWFAZMEOSA-N
Mol Weight 513.6 g/mol
Molecular Formula C28H31N7O3
Exact Mass 513.248838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID EcmmiWPzuYg
Name (2S,4R)-2-Ethoxy-4-(2'-azidophenyl)-8-[(2'-azidophenyl)methylene]-6-[2'-(N-acetylamino)ethyl]-2,3,4,5,6,7-hexahydrobenzopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N7O3
InChI InChI=1S/C28H31N7O3/c1-3-37-27-17-23(22-9-5-7-11-26(22)33-35-30)24-15-19(12-13-31-18(2)36)14-21(28(24)38-27)16-20-8-4-6-10-25(20)32-34-29/h4-11,16,19,23,27H,3,12-15,17H2,1-2H3,(H,31,36)/b21-16-/t19?,23-,27+/m1/s1
InChIKey XTZUEBSMVLATTF-SWFAZMEOSA-N
Molecular Weight 513.602 g/mol
SMILES N(C(=O)C)CCC1C\C(C2=C([C@@](c3c(N=[N+]=[N-])cccc3)(C[C@@](OCC)(O2)[H])[H])C1)=C\c1c(N=[N+]=[N-])cccc1
SPLASH splash10-001i-1921330000-5913c419014e3a505f0d
Source of Spectrum C-117-12466-33
Wiley ID 1698246