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3-Pentenoic acid, 2,4-dimethyl-, 3-phenylpropyl ester, (S)-
SpectraBase Compound ID 8dDEBXzlLc2
InChI InChI=1S/C16H22O2/c1-13(2)12-14(3)16(17)18-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12,14H,7,10-11H2,1-3H3/t14-/m0/s1
InChIKey MPKJIVYJDQXVBB-AWEZNQCLSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fgqHI0XiYU
Name 3-Pentenoic acid, 2,4-dimethyl-, 3-phenylpropyl ester, (S)-
CAS Registry Number 108584-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-13(2)12-14(3)16(17)18-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12,14H,7,10-11H2,1-3H3/t14-/m0/s1
InChIKey MPKJIVYJDQXVBB-AWEZNQCLSA-N
Molecular Weight 246.350 g/mol
SMILES C([C@@](C(=O)OCCCc1ccccc1)(C)[H])=C(C)C
SPLASH splash10-014i-6900000000-fdb5684c39452693757a
Source of Spectrum F-45-6190-23
Synonyms 3-Phenylpropyl (2S)-2,4-dimethyl-3-pentenoate 3-Phenylpropyl 2,4-dimethyl-3-pentenoate
Wiley ID 1249397