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2-Allyl-6-methoxy-benzoic acid (1S,3R,4S)-3-methoxymethoxy-4-methyl-1-prop-2-ynyl-hept-6-enyl ester
SpectraBase Compound ID 95PPTg687m6
InChI InChI=1S/C24H32O5/c1-7-11-18(4)22(28-17-26-5)16-20(13-9-3)29-24(25)23-19(12-8-2)14-10-15-21(23)27-6/h3,7-8,10,14-15,18,20,22H,1-2,11-13,16-17H2,4-6H3/t18-,20-,22+/m0/s1
InChIKey YIKFJGJOTCJMRF-RCZSKKKRSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8glZ9YY73w1
Name 2-Allyl-6-methoxy-benzoic acid (1S,3R,4S)-3-methoxymethoxy-4-methyl-1-prop-2-ynyl-hept-6-enyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-7-11-18(4)22(28-17-26-5)16-20(13-9-3)29-24(25)23-19(12-8-2)14-10-15-21(23)27-6/h3,7-8,10,14-15,18,20,22H,1-2,11-13,16-17H2,4-6H3/t18-,20-,22+/m0/s1
InChIKey YIKFJGJOTCJMRF-RCZSKKKRSA-N
Molecular Weight 400.515 g/mol
SMILES C(c1c(OC)cccc1CC=C)(O[C@](C[C@]([C@](CC=C)(C)[H])(OCOC)[H])(CC#C)[H])=O
SPLASH splash10-00b9-1900000000-43ce84b8d02773ab96a9
Source of Spectrum H-2005-736-30
Synonyms (1S,3R,4S)-3-(methoxymethoxy)-4-methyl-1-(2-propynyl)-6-heptenyl 2-allyl-6-methoxybenzoate 2-Allyl-6-methoxy-benzoic acid[(1S,3R,4S)-3-(methoxymethoxy)-4-methyl-1-propargyl-hept-6-enyl]ester 2-Methoxy-6-prop-2-enylbenzoic acid[(4S,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-yl]ester 3'-(Methoxymethoxy)-4'-methyl-1-(prop-2''-ynyl)hept-6'-enyl 2-Allyl-6-methoxybenzoateate [(1S,3R,4S)-3-(methoxymethoxy)-4-methyl-1-prop-2-ynyl-hept-6-enyl]2-allyl-6-methoxy-benzoate [(4S,6R,7S)-6-(methoxymethoxy)-7-methyl-dec-9-en-1-yn-4-yl]2-methoxy-6-prop-2-enyl-benzoate 2-Methoxy-6-prop-2-enylbenzoic acid [(4S,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-yl] ester [(4S,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-yl] 2-methoxy-6-prop-2-enylbenzoate [(1S,3R,4S)-3-(methoxymethoxy)-4-methyl-1-prop-2-ynyl-hept-6-enyl] 2-allyl-6-methoxy-benzoate [(4S,6R,7S)-6-(methoxymethoxy)-7-methyl-dec-9-en-1-yn-4-yl] 2-methoxy-6-prop-2-enyl-benzoate
Wiley ID 1562311