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(+)-(S)-3-Butyl-N-(p-methoxybenzyl)pyrrolidine
SpectraBase Compound ID 3K4jTwlYR60
InChI InChI=1S/C16H25NO/c1-3-4-5-14-10-11-17(12-14)13-15-6-8-16(18-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m0/s1
InChIKey BPVSCIZFCJNZEO-AWEZNQCLSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cr8snub7683
Name (+)-(S)-3-Butyl-N-(p-methoxybenzyl)pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-3-4-5-14-10-11-17(12-14)13-15-6-8-16(18-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m0/s1
InChIKey BPVSCIZFCJNZEO-AWEZNQCLSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302438k
Molecular Weight 247.382 g/mol
Optical Rotation [a]D20 = +3.5 (c = 1.0, CH2Cl2)
Quality 214
Reported Formula C16H25NO
SMILES C1N(CC[C@@]1(CCCC)[H])CC1=CC=C(C=C1)OC
SPLASH splash10-00di-9600000000-343f45c6734a4dc5bb96
Source of Spectrum JOC-78-624-22a (DOI: 10.1021/jo302438k)
Wiley ID 1911688