| SpectraBase Spectrum ID |
3JLHXVBM3qb |
| Name |
Crinan-3-one, 2-bromo-, (2.beta.)-(.+-.)- |
| Alternate Name(s) |
(+-)-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. |
| 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 |
| Wiley ID |
1341271 |
