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(+)-1-((1S,3S,7as)-1-hydroxyhexahydro-1H-pyrrolizin-3-yl)undec-5-yn-4-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(+)-1-((1S,3S,7as)-1-hydroxyhexahydro-1H-pyrrolizin-3-yl)undec-5-yn-4-one
SpectraBase Compound ID 5ECLcl4TRkF
InChI InChI=1S/C18H29NO2/c1-2-3-4-5-6-10-16(20)11-7-9-15-14-18(21)17-12-8-13-19(15)17/h15,17-18,21H,2-5,7-9,11-14H2,1H3/t15-,17-,18-/m0/s1
InChIKey RCGRERSOGZUJGQ-SZMVWBNQSA-N
Mol Weight 291.43 g/mol
Molecular Formula C18H29NO2
Exact Mass 291.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FNsRyQClzwh
Name (+)-1-((1S,3S,7as)-1-hydroxyhexahydro-1H-pyrrolizin-3-yl)undec-5-yn-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.219829176 u
Formula C18H29NO2
InChI InChI=1S/C18H29NO2/c1-2-3-4-5-6-10-16(20)11-7-9-15-14-18(21)17-12-8-13-19(15)17/h15,17-18,21H,2-5,7-9,11-14H2,1H3/t15-,17-,18-/m0/s1
InChIKey RCGRERSOGZUJGQ-SZMVWBNQSA-N
SMILES C([C@]1(C[C@@]([C@@]2(CCCN12)[H])(O)[H])[H])CCC(C#CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886263