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8,11,14-Heptadecatrienoic acid, pyrrolidide

View entire compound with spectra: 1 NMR, and 1 FTIR

8,11,14-Heptadecatrienoic acid, pyrrolidide
SpectraBase Compound ID BTLO1UPbt4Q
InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h3-4,6-7,9-10H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-
InChIKey QATGERJEIMKIBN-PDBXOOCHSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HO5Y60lC3xp
Name 8,11,14-Heptadecatrienoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h3-4,6-7,9-10H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-
InChIKey QATGERJEIMKIBN-PDBXOOCHSA-N
Molecular Weight 317.517 g/mol
SMILES C1N(CCC1)C(CCCCCC\C=C/C\C=C/C\C=C/CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88554