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N-[(-)-jasmonoyl]-(S)-phenylalanine methylesther
SpectraBase Compound ID 5GoNgdsPmRT
InChI InChI=1S/C22H29NO4/c1-4-5-7-12-18-16(13-14-19(18)24)15-20(25)23-22(2,21(26)27-3)17-10-8-6-9-11-17/h5-11,16,18H,4,12-15H2,1-3H3,(H,23,25)/b7-5+/t16?,18?,22-/m0/s1
InChIKey CPWKRTLDLBXDDM-OAHNCJNYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtfVjSu8fRT
Name N-[(-)-jasmonoyl]-(S)-phenylalanine methylesther
Alternate Name(s) (S)-N-[1'-methoxycarbonyl-1'-phenylethyl]-2-(pent-2''-enyl)-3-oxocyclopentylacetamide Methyl (2S)-2-[({3-oxo-2-[(2E)-2-pentenyl]cyclopentyl}acetyl)amino]-2-phenylpropanoate
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Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-4-5-7-12-18-16(13-14-19(18)24)15-20(25)23-22(2,21(26)27-3)17-10-8-6-9-11-17/h5-11,16,18H,4,12-15H2,1-3H3,(H,23,25)/b7-5+/t16?,18?,22-/m0/s1
InChIKey CPWKRTLDLBXDDM-OAHNCJNYSA-N
Molecular Weight 371.477 g/mol
SMILES N([C@](C(=O)OC)(c1ccccc1)C)C(CC1C(C(=O)CC1)C\C=C\CC)=O
SPLASH splash10-0230-4902000000-3f2e93097582f797dc9b
Source of Spectrum KO-19-333-9
Wiley ID 1355057