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

*Links on SpectraBase are not permalinks.
Crinan-3-one, 2-bromo-, (2.beta.)-(.+-.)-
SpectraBase Compound ID ILbUNYYY8JG
InChI InChI=1S/C16H16BrNO3/c17-11-6-16-1-2-18(15(16)5-12(11)19)7-9-3-13-14(4-10(9)16)21-8-20-13/h3-4,11,15H,1-2,5-8H2/t11?,15-,16+/m1/s1
InChIKey UNQPLJCBPIAVNF-ZNQYIGRYSA-N
Mol Weight 350.21 g/mol
Molecular Formula C16H16BrNO3
Exact Mass 349.031356 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 3JLHXVBM3qb
Name Crinan-3-one, 2-bromo-, (2.beta.)-(.+-.)-
CAS Registry Number 87697-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrNO3
InChI InChI=1S/C16H16BrNO3/c17-11-6-16-1-2-18(15(16)5-12(11)19)7-9-3-13-14(4-10(9)16)21-8-20-13/h3-4,11,15H,1-2,5-8H2/t11?,15-,16+/m1/s1
InChIKey UNQPLJCBPIAVNF-ZNQYIGRYSA-N
Molecular Weight 350.212 g/mol
SMILES [C@@]123[C@](N(CC3)Cc3c1cc1c(OCO1)c3)(CC(C(C2)Br)=O)[H]
SPLASH splash10-0ufr-0290000000-c78cfe6331f7007b5d95
Source of Spectrum C-105-7643-0
Synonyms (+-)-2.alpha.-bromodihydrooxocrinine (+-)-2.beta.-bromodihydrooxocrinine 2-Bromocrinan-3-one 3H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridine, crinan-3-one deriv.
Wiley ID 1341271