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Acetylepilachnene

View entire compound with spectra: 1 MS (GC)

Acetylepilachnene
SpectraBase Compound ID BJDVsXyu2IY
InChI InChI=1S/C18H31NO3/c1-3-11-17-12-9-7-5-4-6-8-10-13-18(21)22-15-14-19(17)16(2)20/h4,6,17H,3,5,7-15H2,1-2H3/b6-4+
InChIKey WAPURXNBBSTOHS-GQCTYLIASA-N
Mol Weight 309.45 g/mol
Molecular Formula C18H31NO3
Exact Mass 309.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uayx7KVVld
Name Acetylepilachnene
Alternate Name(s) 4-Acetyl-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO3
InChI InChI=1S/C18H31NO3/c1-3-11-17-12-9-7-5-4-6-8-10-13-18(21)22-15-14-19(17)16(2)20/h4,6,17H,3,5,7-15H2,1-2H3/b6-4+
InChIKey WAPURXNBBSTOHS-GQCTYLIASA-N
Molecular Weight 309.450 g/mol
SMILES C(N1C(CCC)CCCC\C=C\CCCC(OCC1)=O)(=O)C
SPLASH splash10-00xu-3191000000-b4c7c0850617f12fe5f6
Source of Spectrum ET-0-0-2
Wiley ID 1310732