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trans-11-Hydroxy-3-cis-cyano-7-oxo-3-pentyldispiro[5.1.5.2] pentadecane
SpectraBase Compound ID IgtPz2ZTXFS
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
Mol Weight 331.5 g/mol
Molecular Formula C21H33NO2
Exact Mass 331.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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