Benzoic acid, 2,4-dihydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-, phenylmethyl ester

SpectraBase Compound ID	7r9l2HnIHqL
InChI	InChI=1S/C21H24O6/c1-2-8-21(26-9-10-27-21)13-16-11-17(22)12-18(23)19(16)20(24)25-14-15-6-4-3-5-7-15/h3-7,11-12,22-23H,2,8-10,13-14H2,1H3
InChIKey	VQCZWUATKLVGGN-UHFFFAOYSA-N Google Search
Mol Weight	372.42 g/mol
Molecular Formula	C21H24O6
Exact Mass	372.157288 g/mol

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SpectraBase Spectrum ID	6QILta9SpsR
Name	Benzoic acid, 2,4-dihydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-, phenylmethyl ester
Alternate Name(s)	Benzyl 2,4-dihydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoate
CAS Registry Number	127743-30-0
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H24O6
InChI	InChI=1S/C21H24O6/c1-2-8-21(26-9-10-27-21)13-16-11-17(22)12-18(23)19(16)20(24)25-14-15-6-4-3-5-7-15/h3-7,11-12,22-23H,2,8-10,13-14H2,1H3
InChIKey	VQCZWUATKLVGGN-UHFFFAOYSA-N
Molecular Weight	372.417 g/mol
SMILES	Oc1cc(cc(c1C(OCc1ccccc1)=O)CC1(OCCO1)CCC)O
SPLASH	splash10-014i-0900000000-7e6c8523f3198da6ebf3
Source of Spectrum	B-42-1975-18
Wiley ID	1355483