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RETROFRACTAMIDE-A

View entire compound with spectra: 2 NMR, and 2 MS (GC)

RETROFRACTAMIDE-A
SpectraBase Compound ID I4JKMeijN7H
InChI InChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+
InChIKey BPSWISYORIWKCT-FCGWLDPVSA-N
Mol Weight 327.42 g/mol
Molecular Formula C20H25NO3
Exact Mass 327.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FW5drA1u4g9
Name (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
Alternate Name(s) Retrofractamide-A (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-isobutyl-nona-2,4,8-trienamide
CAS Registry Number 94079-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO3
InChI InChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+
InChIKey BPSWISYORIWKCT-FCGWLDPVSA-N
Molecular Weight 327.424 g/mol
SMILES N(C(\C=C\C=C\CC\C=C\c1cc2c(OCO2)cc1)=O)CC(C)C
SPLASH splash10-0f89-1900000000-d870212bff72ac38e031
Source of Spectrum D1-1994-608-5
Wiley ID 834560