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(3R,5S)-5-Methyl-3-non-8-ynyl-octahydro-pyrrolo[1,2-a]azepine
SpectraBase Compound ID Bx86hhtiLR5
InChI InChI=1S/C19H33N/c1-3-4-5-6-7-8-9-13-18-15-16-19-14-11-10-12-17(2)20(18)19/h1,17-19H,4-16H2,2H3/t17-,18+,19?/m0/s1
InChIKey JBGQTVGTHWMPST-PAMZHZACSA-N
Mol Weight 275.5 g/mol
Molecular Formula C19H33N
Exact Mass 275.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BL6dc0jkmR8
Name (3R,5S)-5-Methyl-3-non-8-ynyl-octahydro-pyrrolo[1,2-a]azepine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33N
InChI InChI=1S/C19H33N/c1-3-4-5-6-7-8-9-13-18-15-16-19-14-11-10-12-17(2)20(18)19/h1,17-19H,4-16H2,2H3/t17-,18+,19?/m0/s1
InChIKey JBGQTVGTHWMPST-PAMZHZACSA-N
Molecular Weight 275.480 g/mol
SMILES C12N([C@@](CC2)(CCCCCCCC#C)[H])[C@](CCCC1)(C)[H]
SPLASH splash10-0udi-0900000000-a0e3ddbb0000bf20fae9
Source of Spectrum G4-64-426-1
Synonyms (3R,5S)-5-methyl-3-(8-nonynyl)octahydro-1H-pyrrolo[1,2-a]azepine 2-(Non-8'-yn-1'-yl)-9-methylpyrrolo[1,2-a]azepane isomer Lehmizidine 275-A
Wiley ID 1608869