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Ethanone, 1-[5-(2,6-dimethyl-1,5-heptadienyl)-1-propyl-3-pyrrolidinyl]-, [3.alpha.,5.alpha.(E)]-
SpectraBase Compound ID 6Plm6nOW0sd
InChI InChI=1S/C18H31NO/c1-6-10-19-13-17(16(5)20)12-18(19)11-15(4)9-7-8-14(2)3/h8,11,17-18H,6-7,9-10,12-13H2,1-5H3/b15-11+/t17-,18+/m1/s1
InChIKey SOSJLCMRACBVMN-CJOJLPBESA-N
Mol Weight 277.45 g/mol
Molecular Formula C18H31NO
Exact Mass 277.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G40btNulEo3
Name Ethanone, 1-[5-(2,6-dimethyl-1,5-heptadienyl)-1-propyl-3-pyrrolidinyl]-, [3.alpha.,5.alpha.(E)]-
Alternate Name(s) 1-{(3R,5R)-5-[(1E)-2,6-dimethyl-1,5-heptadienyl]-1-propylpyrrolidinyl}ethanone 3-Acetyl-5-(2,6-dimethyl-1,5-heptadienyl)-1-propylpyrroline
CAS Registry Number 87088-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO
InChI InChI=1S/C18H31NO/c1-6-10-19-13-17(16(5)20)12-18(19)11-15(4)9-7-8-14(2)3/h8,11,17-18H,6-7,9-10,12-13H2,1-5H3/b15-11+/t17-,18+/m1/s1
InChIKey SOSJLCMRACBVMN-CJOJLPBESA-N
Molecular Weight 277.452 g/mol
SMILES [C@@]1(N(C[C@@](C1)(C(=O)C)[H])CCC)(\C=C\(CCC=C(C)C)C)[H]
SPLASH splash10-0udi-0940000000-0fd3cf01d2e4d98390c6
Source of Spectrum C-105-6627-0
Wiley ID 1281215