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(2E,4E)-9-(1,3-Benzodioxol-5-yl)-N-isobutyl-2,4-nonadienamide
SpectraBase Compound ID DthPgDQFvLl
InChI InChI=1S/C20H27NO3/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/h4,6,8,10-13,16H,3,5,7,9,14-15H2,1-2H3,(H,21,22)/b6-4+,10-8+
InChIKey KXYVTCVLCVPQKR-ONNLMXTPSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9Zuwmu38mR
Name (2E,4E)-9-(1,3-Benzodioxol-5-yl)-N-isobutyl-2,4-nonadienamide
Alternate Name(s) (2E,4E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,4-dienamide (2E,4E)-9-(1,3-benzodioxol-5-yl)-N-isobutyl-nona-2,4-dienamide (2E,4E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-2,4-dienamide Pipercallpsine
CAS Registry Number 83029-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/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/h4,6,8,10-13,16H,3,5,7,9,14-15H2,1-2H3,(H,21,22)/b6-4+,10-8+
InChIKey KXYVTCVLCVPQKR-ONNLMXTPSA-N
Molecular Weight 329.440 g/mol
SMILES N(CC(C)C)C(=O)\C=C\C=C\CCCCc1cc2c(OCO2)cc1
SPLASH splash10-0553-5911000000-5f62fc06c829b7de3860
Source of Spectrum W5-1989-34473-31063
Wiley ID 1327238