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Pyrrolidine, 2-butyl-5-heptyl-1-(phenylmethyl)-, (2S-trans)-
SpectraBase Compound ID 8RLFsZEPrNm
InChI InChI=1S/C22H37N/c1-3-5-7-8-12-16-22-18-17-21(15-6-4-2)23(22)19-20-13-10-9-11-14-20/h9-11,13-14,21-22H,3-8,12,15-19H2,1-2H3/t21-,22-/m0/s1
InChIKey HHVNJLLKPSVRSK-VXKWHMMOSA-N
Mol Weight 315.5 g/mol
Molecular Formula C22H37N
Exact Mass 315.2926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCy21YGUuyp
Name Pyrrolidine, 2-butyl-5-heptyl-1-(phenylmethyl)-, (2S-trans)-
Alternate Name(s) (+)-(S)-trans-2-Heptyl-5-butyl-1-benzyl pyrrolidine (2S,5S)-1-benzyl-2-butyl-5-heptylpyrrolidine
CAS Registry Number 112020-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37N
InChI InChI=1S/C22H37N/c1-3-5-7-8-12-16-22-18-17-21(15-6-4-2)23(22)19-20-13-10-9-11-14-20/h9-11,13-14,21-22H,3-8,12,15-19H2,1-2H3/t21-,22-/m0/s1
InChIKey HHVNJLLKPSVRSK-VXKWHMMOSA-N
Molecular Weight 315.545 g/mol
SMILES C(N1[C@](CC[C@@]1(CCCCCCC)[H])(CCCC)[H])c1ccccc1
SPLASH splash10-066u-3090000000-5063283fa45e74a97563
Source of Spectrum F-44-2468-17
Wiley ID 1316240