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2-[(Allylbenzylamino)methyl]-4-(hydroxymethyl)pent-4-enoic acid methyl ester
SpectraBase Compound ID DMNjRe1XJts
InChI InChI=1S/C18H25NO3/c1-4-10-19(12-16-8-6-5-7-9-16)13-17(18(21)22-3)11-15(2)14-20/h4-9,17,20H,1-2,10-14H2,3H3
InChIKey ISKYGGQTXMUMEX-UHFFFAOYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPqjcGyUNAR
Name 2-[(Allylbenzylamino)methyl]-4-(hydroxymethyl)pent-4-enoic acid methyl ester
Alternate Name(s) Methyl 2-{[allyl(benzyl)amino]methyl}-4-(hydroxymethyl)-4-pentenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-4-10-19(12-16-8-6-5-7-9-16)13-17(18(21)22-3)11-15(2)14-20/h4-9,17,20H,1-2,10-14H2,3H3
InChIKey ISKYGGQTXMUMEX-UHFFFAOYSA-N
Molecular Weight 303.402 g/mol
SMILES OCC(CC(C(=O)OC)CN(Cc1ccccc1)CC=C)=C
SPLASH splash10-03e9-2920000000-67f386b62fd97db65599
Source of Spectrum F-62-1783-17
Wiley ID 1632363