| SpectraBase Spectrum ID |
5o6TyA6W6U3 |
| Name |
N,N-diethylthiocarbamic acid O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H22N2O2S |
| InChI |
InChI=1S/C23H22N2O2S/c1-3-24(4-2)23(28)27-22-19-14-10-16-25(19)18-13-8-9-15-20(18)26-21(22)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3 |
| InChIKey |
LBVSZQDASUWNMZ-UHFFFAOYSA-N |
| Molecular Weight |
390.501 g/mol |
| SMILES |
C=1(Oc2c(-[n]3c(C1OC(N(CC)CC)=S)ccc3)cccc2)c1ccccc1 |
| SPLASH |
splash10-0002-0092000000-6dd3429db22aa0d2a2f0 |
| Source of Spectrum |
E1-39-3445-17 |
| Synonyms |
O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-diethylcarbamothioate |
| Wiley ID |
1598964 |
![N,N-diethylthiocarbamic acid O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) ester](/api/spectrum/5o6TyA6W6U3/structure.png?h=300&w=458 "N,N-diethylthiocarbamic acid O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) ester")
