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Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 1,8-octanediyl ester
SpectraBase Compound ID K2b8iydCDPl
InChI InChI=1S/C28H30O8/c1-3-15-33-21-11-13-25(29)23(19-21)27(31)35-17-9-7-5-6-8-10-18-36-28(32)24-20-22(34-16-4-2)12-14-26(24)30/h1-2,11-14,19-20,29-30H,5-10,15-18H2
InChIKey BKNUFDMJIIIHSQ-UHFFFAOYSA-N
Mol Weight 494.54 g/mol
Molecular Formula C28H30O8
Exact Mass 494.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUgpLGlsPG4
Name Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 1,8-octanediyl ester
CAS Registry Number 120296-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O8
InChI InChI=1S/C28H30O8/c1-3-15-33-21-11-13-25(29)23(19-21)27(31)35-17-9-7-5-6-8-10-18-36-28(32)24-20-22(34-16-4-2)12-14-26(24)30/h1-2,11-14,19-20,29-30H,5-10,15-18H2
InChIKey BKNUFDMJIIIHSQ-UHFFFAOYSA-N
Molecular Weight 494.540 g/mol
SMILES Oc1c(C(OCCCCCCCCOC(c2c(ccc(c2)OCC#C)O)=O)=O)cc(cc1)OCC#C
SPLASH splash10-009l-0900200000-67abfe0929a19785c98b
Source of Spectrum C-111-3647-8
Synonyms 1,8-Octanediyl bis[2-hydroxy-5-(2-propynloxy)benzoate] 8-{[2-hydroxy-5-(2-propynyloxy)benzoyl]oxy}octyl 2-hydroxy-5-(2-propynyloxy)benzoate
Wiley ID 1397933