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Pyrrolidine, 2-ethyl-5-heptyl-1-(phenylsulfonyl)-, (2S-trans)-
SpectraBase Compound ID 98wabyH0Vvq
InChI InChI=1S/C19H31NO2S/c1-3-5-6-7-9-12-18-16-15-17(4-2)20(18)23(21,22)19-13-10-8-11-14-19/h8,10-11,13-14,17-18H,3-7,9,12,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKey FQELWFBNJLLPMP-ROUUACIJSA-N
Mol Weight 337.52 g/mol
Molecular Formula C19H31NO2S
Exact Mass 337.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VUymo7Fs2W
Name Pyrrolidine, 2-ethyl-5-heptyl-1-(phenylsulfonyl)-, (2S-trans)-
Alternate Name(s) (+)-(S)-trans-2-Heptyl-5-ethyl-1-phenylsulfonylpyrrolidine (2S,5S)-2-ethyl-5-heptyl-1-(phenylsulfonyl)pyrrolidine
CAS Registry Number 119988-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO2S
InChI InChI=1S/C19H31NO2S/c1-3-5-6-7-9-12-18-16-15-17(4-2)20(18)23(21,22)19-13-10-8-11-14-19/h8,10-11,13-14,17-18H,3-7,9,12,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKey FQELWFBNJLLPMP-ROUUACIJSA-N
Molecular Weight 337.522 g/mol
SMILES [C@@]1(N(S(=O)(=O)c2ccccc2)[C@](CC1)(CCCCCCC)[H])(CC)[H]
SPLASH splash10-052r-2196000000-e9fff2ce2ab04d11eecc
Source of Spectrum F-44-2467-11
Wiley ID 1333135