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(E)-1-((1R,3S,7ar)-1-Hydroxyhexahydro-1H-pyrrolizin-3-yl)undec-5-en-4-one

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

(E)-1-((1R,3S,7ar)-1-Hydroxyhexahydro-1H-pyrrolizin-3-yl)undec-5-en-4-one
SpectraBase Compound ID 5WgS7BJrHUP
InChI InChI=1S/C18H31NO2/c1-2-3-4-5-6-10-16(20)11-7-9-15-14-18(21)17-12-8-13-19(15)17/h6,10,15,17-18,21H,2-5,7-9,11-14H2,1H3/b10-6+/t15-,17+,18+/m0/s1
InChIKey YILPETBITVIXIX-ATSRTMKBSA-N
Mol Weight 293.45 g/mol
Molecular Formula C18H31NO2
Exact Mass 293.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E7zvanAHCsr
Name (E)-1-((1R,3S,7ar)-1-Hydroxyhexahydro-1H-pyrrolizin-3-yl)undec-5-en-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.235479240 u
Formula C18H31NO2
InChI InChI=1S/C18H31NO2/c1-2-3-4-5-6-10-16(20)11-7-9-15-14-18(21)17-12-8-13-19(15)17/h6,10,15,17-18,21H,2-5,7-9,11-14H2,1H3/b10-6+/t15-,17+,18+/m0/s1
InChIKey YILPETBITVIXIX-ATSRTMKBSA-N
SMILES C(CCC(\C=C\CCCCC)=O)[C@]1(C[C@]([C@]2(CCCN12)[H])(O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94557