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Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester
SpectraBase Compound ID LCwwDgGWkK6
InChI InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3
InChIKey QNESDXMHQYMNGD-UHFFFAOYSA-N
Mol Weight 512.8 g/mol
Molecular Formula C30H56O6
Exact Mass 512.40769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5In3oMEM9JL
Name Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester
CAS Registry Number 56554-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H56O6
InChI InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3
InChIKey QNESDXMHQYMNGD-UHFFFAOYSA-N
Molecular Weight 512.772 g/mol
SMILES CC(C)(C)CC(C)CC(OC(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C)=O
SPLASH splash10-0a4i-9100000000-49cab1b7df652bae2798
Source of Spectrum EP-5056-0-0
Synonyms 2,3-Bis[(3,5,5-trimethylhexanoyl)oxy]propyl 3,5,5-trimethylhexanoate 3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethyl-1-oxohexoxy)propyl ester 3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl ester EINECS 260-257-1
Wiley ID 1400860