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Benzoic acid, 2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-
SpectraBase Compound ID IfUb8VXg9Qr
InChI InChI=1S/C21H24O6/c1-2-8-21(26-9-10-27-21)13-16-11-17(12-18(22)19(16)20(23)24)25-14-15-6-4-3-5-7-15/h3-7,11-12,22H,2,8-10,13-14H2,1H3,(H,23,24)
InChIKey JTOQWGKXAQATPL-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Czfzofn1CFQ
Name Benzoic acid, 2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-
Alternate Name(s) 4-(benzyloxy)-2-hydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoic acid
CAS Registry Number 127743-41-3
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(12-18(22)19(16)20(23)24)25-14-15-6-4-3-5-7-15/h3-7,11-12,22H,2,8-10,13-14H2,1H3,(H,23,24)
InChIKey JTOQWGKXAQATPL-UHFFFAOYSA-N
Molecular Weight 372.417 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CC1(OCCO1)CCC)OCc1ccccc1
SPLASH splash10-0006-9000000000-e8a25f1c96f002737b27
Source of Spectrum B-42-1978-29
Wiley ID 1355484