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(2R,3R)-(3-Propyloxiran-2-yl)methyl 3-Methyl benzoate
SpectraBase Compound ID 8WPFei9ZMu2
InChI InChI=1S/C14H18O3/c1-3-5-12-13(17-12)9-16-14(15)11-7-4-6-10(2)8-11/h4,6-8,12-13H,3,5,9H2,1-2H3/t12-,13-/m1/s1
InChIKey QZVWUCONIHXFTN-CHWSQXEVSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51R3TtI3cYo
Name (2R,3R)-(3-Propyloxiran-2-yl)methyl 3-Methyl benzoate
Alternate Name(s) ((2R,3R)-3-propyloxiran-2-yl)methyl 3-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-5-12-13(17-12)9-16-14(15)11-7-4-6-10(2)8-11/h4,6-8,12-13H,3,5,9H2,1-2H3/t12-,13-/m1/s1
InChIKey QZVWUCONIHXFTN-CHWSQXEVSA-N
Literature Reference DOI 10.1021/acs.joc.5b00185
Molecular Weight 234.295 g/mol
SMILES c1(cc(ccc1)C)C(OC[C@@]1([C@@](CCC)(O1)[H])[H])=O
SPLASH splash10-014i-1900000000-c600920bded4c0053af8
Source of Spectrum J-80-3209-4j_toluoyl
Wiley ID 1760820