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(+)-(S)-2-(3,4-methylenedioxyphenyl)-4-pentenoic acid
SpectraBase Compound ID I91o2S03ava
InChI InChI=1S/C12H12O4/c1-2-3-9(12(13)14)8-4-5-10-11(6-8)16-7-15-10/h2,4-6,9H,1,3,7H2,(H,13,14)/t9-/m0/s1
InChIKey SKKKBGPGCFZBTK-VIFPVBQESA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlMIp6Bs53m
Name (+)-(S)-2-(3,4-methylenedioxyphenyl)-4-pentenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-2-3-9(12(13)14)8-4-5-10-11(6-8)16-7-15-10/h2,4-6,9H,1,3,7H2,(H,13,14)/t9-/m0/s1
InChIKey SKKKBGPGCFZBTK-VIFPVBQESA-N
Molecular Weight 220.224 g/mol
SMILES OC([C@](c1cc2OCOc2cc1)(CC=C)[H])=O
SPLASH splash10-004i-3910000000-2c2c22fa5347e9b7f2f7
Source of Spectrum QC-10-1953-4
Synonyms (2S)-2-(1,3-benzodioxol-5-yl)-4-pentenoic acid
Wiley ID 871425