| SpectraBase Spectrum ID |
JipbSvgnmOa |
| Name |
cis-7-(4-Bromophenyl)-6-methyl-6-phenylhexahydro-1,4-diazepin-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19BrN2O |
| InChI |
InChI=1S/C18H19BrN2O/c1-18(14-5-3-2-4-6-14)16(20-11-12-21-17(18)22)13-7-9-15(19)10-8-13/h2-10,16,20H,11-12H2,1H3,(H,21,22)/t16-,18+/m0/s1 |
| InChIKey |
AYPPLQLUQIMMRY-FUHWJXTLSA-N |
| Molecular Weight |
359.267 g/mol |
| SMILES |
N1[C@]([C@](C(NCC1)=O)(c1ccccc1)C)(c1ccc(cc1)Br)[H] |
| SPLASH |
splash10-001i-0903000000-611a2d744dd1808fc28d |
| Source of Spectrum |
KC-61-1535-6 |
| Synonyms |
(6R,7S)-7-(4-bromophenyl)-6-methyl-6-phenylhexahydro-5H-1,4-diazepin-5-one |
| Wiley ID |
1627618 |
