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(S)-2-Benzyl 1-Methyl 3-Methoxy-1,4-cyclohexadiene-1,2-dicarboxylate
SpectraBase Compound ID vuWnSsNdh6
InChI InChI=1S/C17H18O5/c1-20-14-10-6-9-13(16(18)21-2)15(14)17(19)22-11-12-7-4-3-5-8-12/h3-8,10,14H,9,11H2,1-2H3/t14-/m0/s1
InChIKey MQGFRAHOTDWYSB-AWEZNQCLSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd0rqHhxVU4
Name (S)-2-Benzyl 1-Methyl 3-Methoxy-1,4-cyclohexadiene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-20-14-10-6-9-13(16(18)21-2)15(14)17(19)22-11-12-7-4-3-5-8-12/h3-8,10,14H,9,11H2,1-2H3/t14-/m0/s1
InChIKey MQGFRAHOTDWYSB-AWEZNQCLSA-N
Molecular Weight 302.326 g/mol
SMILES C1(=C(C(=O)OC)CC=C[C@@]1(OC)[H])C(OCc1ccccc1)=O
SPLASH splash10-03dl-5900000000-29c08e0e7140087a1c00
Source of Spectrum J-59-1508-11i
Synonyms (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylic acid O1-methyl ester O2-(phenylmethyl) ester 2-O-benzyl 1-O-methyl (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylate O2-benzyl O1-methyl (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylate O1-methyl O2-(phenylmethyl) (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylate
Wiley ID 1274375