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2-Naphthalenecarboxylic acid, 4-hydroxy-7-methoxy-8-(1-methylethyl)-6-(phenylmethoxy)-
SpectraBase Compound ID C4W4xXsDz3b
InChI InChI=1S/C22H22O5/c1-13(2)20-17-9-15(22(24)25)10-18(23)16(17)11-19(21(20)26-3)27-12-14-7-5-4-6-8-14/h4-11,13,23H,12H2,1-3H3,(H,24,25)
InChIKey UCTFURMMZLZQNG-UHFFFAOYSA-N
Mol Weight 366.41 g/mol
Molecular Formula C22H22O5
Exact Mass 366.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3flDJuz6hx4
Name 2-Naphthalenecarboxylic acid, 4-hydroxy-7-methoxy-8-(1-methylethyl)-6-(phenylmethoxy)-
CAS Registry Number 124895-47-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O5
InChI InChI=1S/C22H22O5/c1-13(2)20-17-9-15(22(24)25)10-18(23)16(17)11-19(21(20)26-3)27-12-14-7-5-4-6-8-14/h4-11,13,23H,12H2,1-3H3,(H,24,25)
InChIKey UCTFURMMZLZQNG-UHFFFAOYSA-N
Molecular Weight 366.413 g/mol
SMILES Oc1c2c(cc(C(=O)O)c1)c(c(c(c2)OCc1ccccc1)OC)C(C)C
SPLASH splash10-0006-9001000000-753ed9645b8ff694604e
Source of Spectrum H-72-358-7
Synonyms 6-(benzyloxy)-4-hydroxy-8-isopropyl-7-methoxy-2-naphthoic acid 6-(benzyloxy)-4-hydroxy-8-isopropyl-7-methoxynaphthalene-2-carboxylic acid
Wiley ID 1352128