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3',7'-Dimethyloct-6'-enyl 2-[(1''-methylethyl)aminocarbonyl]-benzoate
SpectraBase Compound ID Jcl4mKJ6RW
InChI InChI=1S/C21H31NO3/c1-15(2)9-8-10-17(5)13-14-25-21(24)19-12-7-6-11-18(19)20(23)22-16(3)4/h6-7,9,11-12,16-17H,8,10,13-14H2,1-5H3,(H,22,23)
InChIKey NXLGXWHPCWXKIC-UHFFFAOYSA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbWijGMsWhO
Name 3',7'-Dimethyloct-6'-enyl 2-[(1''-methylethyl)aminocarbonyl]-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-15(2)9-8-10-17(5)13-14-25-21(24)19-12-7-6-11-18(19)20(23)22-16(3)4/h6-7,9,11-12,16-17H,8,10,13-14H2,1-5H3,(H,22,23)
InChIKey NXLGXWHPCWXKIC-UHFFFAOYSA-N
Molecular Weight 345.483 g/mol
SMILES N(C(c1c(C(=O)OCCC(CCC=C(C)C)C)cccc1)=O)C(C)C
SPLASH splash10-052g-6940000000-96c581b057c41eaab0eb
Source of Spectrum H-86-2896-6
Synonyms 3,7-Dimethyl-6-octenyl 2-[(isopropylamino)carbonyl]benzoate
Wiley ID 1525638