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

*Links on SpectraBase are not permalinks.
(9s,10s)-13-(4-bromobutoxy)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
SpectraBase Compound ID 6ljugWaM9Zu
InChI InChI=1S/C22H20BrNO3/c23-11-5-6-12-27-24-21(25)19-17-13-7-1-2-8-14(13)18(20(19)22(24)26)16-10-4-3-9-15(16)17/h1-4,7-10,17-20H,5-6,11-12H2/t17-,18+,19-,20-/m1/s1
InChIKey WNEPIQOLHJQGNZ-IYWMVGAKSA-N
Mol Weight 426.31 g/mol
Molecular Formula C22H20BrNO3
Exact Mass 425.062657 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 KonUbx1Ly0j
Name (9s,10s)-13-(4-bromobutoxy)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20BrNO3
InChI InChI=1S/C22H20BrNO3/c23-11-5-6-12-27-24-21(25)19-17-13-7-1-2-8-14(13)18(20(19)22(24)26)16-10-4-3-9-15(16)17/h1-4,7-10,17-20H,5-6,11-12H2/t17-,18+,19-,20-/m1/s1
InChIKey WNEPIQOLHJQGNZ-IYWMVGAKSA-N
Literature Reference DOI 10.1002/ardp.201100020
Molecular Weight 426.310 g/mol
SMILES [C@]12([C@@]3([C@@]([C@@](c4c1cccc4)(c1ccccc21)[H])(C(N(C3=O)OCCCCBr)=O)[H])[H])[H]
SPLASH splash10-004i-1900000000-92ecd80ea02eb71036c2
Source of Spectrum APC-344-547-6
Wiley ID 1769257