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3-Pentenoic acid, 2,4-dimethyl-, phenylmethyl ester, (S)-
SpectraBase Compound ID HFdozm4CvUK
InChI InChI=1S/C14H18O2/c1-11(2)9-12(3)14(15)16-10-13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3/t12-/m0/s1
InChIKey URMWPGSBQGSWMF-LBPRGKRZSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHeFMnziUjP
Name 3-Pentenoic acid, 2,4-dimethyl-, phenylmethyl ester, (S)-
Alternate Name(s) benzyl (2S)-2,4-dimethyl-3-pentenoate Benzyl 2,4-diemthyl-3-pentenoate
CAS Registry Number 108584-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-11(2)9-12(3)14(15)16-10-13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3/t12-/m0/s1
InChIKey URMWPGSBQGSWMF-LBPRGKRZSA-N
Molecular Weight 218.296 g/mol
SMILES C([C@](C=C(C)C)(C)[H])(OCc1ccccc1)=O
SPLASH splash10-000x-9000000000-3a3cd304688b6203ace5
Source of Spectrum F-45-6189-23
Wiley ID 1217978