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Pyrrolo[2,1-b]oxazole, 5-heptylhexahydro-3-phenyl-, [3R-(3.alpha.,5.alpha.,7a.alpha.)]-
SpectraBase Compound ID 5ZlhMSAg6r8
InChI InChI=1S/C19H29NO/c1-2-3-4-5-9-12-17-13-14-19-20(17)18(15-21-19)16-10-7-6-8-11-16/h6-8,10-11,17-19H,2-5,9,12-15H2,1H3/t17-,18-,19-/m0/s1
InChIKey IHFHKGUUUKGAAL-FHWLQOOXSA-N
Mol Weight 287.45 g/mol
Molecular Formula C19H29NO
Exact Mass 287.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kae6cWaCNql
Name Pyrrolo[2,1-b]oxazole, 5-heptylhexahydro-3-phenyl-, [3R-(3.alpha.,5.alpha.,7a.alpha.)]-
Alternate Name(s) (3R,5S,7aS)-5-heptyl-3-phenylhexahydropyrrolo[2,1-b][1,3]oxazole 2-Heptyl-5-oxazolopyrrolidine
CAS Registry Number 111964-18-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO
InChI InChI=1S/C19H29NO/c1-2-3-4-5-9-12-17-13-14-19-20(17)18(15-21-19)16-10-7-6-8-11-16/h6-8,10-11,17-19H,2-5,9,12-15H2,1H3/t17-,18-,19-/m0/s1
InChIKey IHFHKGUUUKGAAL-FHWLQOOXSA-N
Molecular Weight 287.447 g/mol
SMILES [C@]1(N2[C@@](OC1)(CC[C@@]2(CCCCCCC)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0f79-2920000000-afeb84e0ab1f392fcaac
Source of Spectrum F-44-2466-5
Wiley ID 1291043