SpectraBase Spectrum ID |
3EPtNpcB0rk |
Name |
trans-11-Hydroxy-3-cis-cyano-7-oxo-3-pentyldispiro[5.1.5.2] pentadecane |
CAS Registry Number |
139564-68-4 |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H33NO2 |
InChI |
InChI=1S/C21H33NO2/c1-2-17(7-14-23)19-20(8-3-16(15-22)4-9-20)12-13-21(19)10-5-18(24)6-11-21/h14,16-19,24H,2-13H2,1H3/t16?,17?,18?,19-,20?,21?/m0/s1 |
InChIKey |
OSVIMCDKVNLBIN-QZYFMDDHSA-N |
Molecular Weight |
331.500 g/mol |
SMILES |
OC1CCC2([C@](C3(CC2)CCC(C#N)CC3)(C(CC=O)CC)[H])CC1 |
SPLASH |
splash10-0006-9001000000-797833fe28bdd20f4f64 |
Source of Spectrum |
K-125-1870-16 |
Synonyms |
(7S)-7-[(1R)-1-ethyl-3-oxopropyl]-11-hydroxydispiro[5.1.5.2]pentadecane-3-carbonitrile |
Wiley ID |
1328868 |