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Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 6,6-dimethyl-1,11-undecanediyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 6,6-dimethyl-1,11-undecanediyl ester
SpectraBase Compound ID Kvep2P8jFR
InChI InChI=1S/C33H40O8/c1-5-19-38-25-13-15-29(34)27(23-25)31(36)40-21-11-7-9-17-33(3,4)18-10-8-12-22-41-32(37)28-24-26(39-20-6-2)14-16-30(28)35/h1-2,13-16,23-24,34-35H,7-12,17-22H2,3-4H3
InChIKey NPIBTRATADMGNW-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C33H40O8
Exact Mass 564.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKlCIVLWZ6N
Name Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 6,6-dimethyl-1,11-undecanediyl ester
CAS Registry Number 120296-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40O8
InChI InChI=1S/C33H40O8/c1-5-19-38-25-13-15-29(34)27(23-25)31(36)40-21-11-7-9-17-33(3,4)18-10-8-12-22-41-32(37)28-24-26(39-20-6-2)14-16-30(28)35/h1-2,13-16,23-24,34-35H,7-12,17-22H2,3-4H3
InChIKey NPIBTRATADMGNW-UHFFFAOYSA-N
Molecular Weight 564.675 g/mol
SMILES Oc1c(C(OCCCCCC(CCCCCOC(c2c(ccc(c2)OCC#C)O)=O)(C)C)=O)cc(cc1)OCC#C
SPLASH splash10-00bj-0900040000-57ec584d762e0bac28aa
Source of Spectrum C-111-3648-8
Synonyms 11-{[2-hydroxy-5-(2-propynyloxy)benzoyl]oxy}-6,6-dimethylundecyl 2-hydroxy-5-(2-propynyloxy)benzoate 6,6-Dimethylundecane-1,11-diyl bis[2-hydroxy-5-(2-propynyloxy)-benzoate]
Wiley ID 1407157