| SpectraBase Spectrum ID |
85wlYbQ2oVo |
| Name |
3-Heptanoyl-7a-phenyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.204179111 u |
| Formula |
C21H27NO2 |
| InChI |
InChI=1S/C21H27NO2/c1-2-3-4-8-14-18(23)19-17-13-9-10-15-21(17,22-20(19)24)16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3,(H,22,24) |
| InChIKey |
ZJJWHHNYSQVFKI-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02935 |
| Quality |
130 |
| Reported Formula |
C21H27NO2 |
| SMILES |
N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(CCCCCC)=O)=O |
| SPLASH |
splash10-02di-0192000000-26e30808d994cff0a68c |
| Source of Spectrum |
JOC-88-3961-4ao (DOI: 10.1021/acs.joc.2c02935) |
| Wiley ID |
1912713 |
