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Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 1,11-undecanediyl ester
SpectraBase Compound ID 8DcxYjuMAwf
InChI InChI=1S/C31H36O8/c1-3-18-36-24-14-16-28(32)26(22-24)30(34)38-20-12-10-8-6-5-7-9-11-13-21-39-31(35)27-23-25(37-19-4-2)15-17-29(27)33/h1-2,14-17,22-23,32-33H,5-13,18-21H2
InChIKey JRMBRJYPENHRHX-UHFFFAOYSA-N
Mol Weight 536.6 g/mol
Molecular Formula C31H36O8
Exact Mass 536.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78yD5eFblm3
Name Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 1,11-undecanediyl ester
CAS Registry Number 120296-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36O8
InChI InChI=1S/C31H36O8/c1-3-18-36-24-14-16-28(32)26(22-24)30(34)38-20-12-10-8-6-5-7-9-11-13-21-39-31(35)27-23-25(37-19-4-2)15-17-29(27)33/h1-2,14-17,22-23,32-33H,5-13,18-21H2
InChIKey JRMBRJYPENHRHX-UHFFFAOYSA-N
Molecular Weight 536.621 g/mol
SMILES Oc1c(C(OCCCCCCCCCCCOC(c2c(ccc(c2)OCC#C)O)=O)=O)cc(cc1)OCC#C
SPLASH splash10-009i-0900040000-23adea0dd0fa5cedd35c
Source of Spectrum C-111-3648-8
Synonyms 1,11-Undecanediyl bis[2-hydroxy-5-(2-propynyloxy)benzoate] 11-{[2-hydroxy-5-(2-propynyloxy)benzoyl]oxy}undecyl 2-hydroxy-5-(2-propynyloxy)benzoate
Wiley ID 1404095