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trans-1-(2-phenyl-1-hydroxyethan-1yl)-5-ethyl-2-heptyl-pyrrolidine
SpectraBase Compound ID KGTBKMjICRG
InChI InChI=1S/C21H35NO/c1-3-5-6-7-11-14-20-16-15-19(4-2)22(20)21(23)17-18-12-9-8-10-13-18/h8-10,12-13,19-21,23H,3-7,11,14-17H2,1-2H3/t19-,20-,21?/m0/s1
InChIKey SIINVWHEFNVPGV-AHTKWCMKSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAyecHcUPNe
Name trans-1-(2-phenyl-1-hydroxyethan-1yl)-5-ethyl-2-heptyl-pyrrolidine
CAS Registry Number 120054-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-3-5-6-7-11-14-20-16-15-19(4-2)22(20)21(23)17-18-12-9-8-10-13-18/h8-10,12-13,19-21,23H,3-7,11,14-17H2,1-2H3/t19-,20-,21?/m0/s1
InChIKey SIINVWHEFNVPGV-AHTKWCMKSA-N
Molecular Weight 317.517 g/mol
SMILES OC(N1[C@](CC[C@@]1(CCCCCCC)[H])(CC)[H])Cc1ccccc1
SPLASH splash10-000i-0090000000-c63aa26ec6cc9a71e088
Source of Spectrum F-44-2466-6
Synonyms Z-(2R,5S)-1-(2-phenol-1-hydroxyethan-1yl)-5-ethyl-2-heptyl-pyrrolidine 1-[(2S,5S)-2-ethyl-5-heptylpyrrolidinyl]-2-phenylethanol trans-1-(2-phenol-1-hydroxyethan-1yl)-5-ethyl-2-heptyl-pyrrolidine
Wiley ID 1317893