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Tetradecanoic acid, 3-oxo-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
SpectraBase Compound ID GvBly1ofllP
InChI InChI=1S/C34H48O3/c1-5-6-7-8-9-10-11-12-13-19-26(35)24-30(36)37-32-29-22-23-34(4,33(29,2)3)31(32)28-21-16-18-25-17-14-15-20-27(25)28/h14-18,20-21,29,31-32H,5-13,19,22-24H2,1-4H3/t29-,31+,32+,34+/m0/s1
InChIKey SSJFNOPRCAHCMD-PBEVBSLSSA-N
Mol Weight 504.8 g/mol
Molecular Formula C34H48O3
Exact Mass 504.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8etstndHDi6
Name Tetradecanoic acid, 3-oxo-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
CAS Registry Number 110971-14-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O3
InChI InChI=1S/C34H48O3/c1-5-6-7-8-9-10-11-12-13-19-26(35)24-30(36)37-32-29-22-23-34(4,33(29,2)3)31(32)28-21-16-18-25-17-14-15-20-27(25)28/h14-18,20-21,29,31-32H,5-13,19,22-24H2,1-4H3/t29-,31+,32+,34+/m0/s1
InChIKey SSJFNOPRCAHCMD-PBEVBSLSSA-N
Molecular Weight 504.755 g/mol
SMILES [C@@]12([C@@]([C@](OC(CC(=O)CCCCCCCCCCC)=O)([C@](C2(C)C)([H])CC1)[H])(c1c2c(cccc2)ccc1)[H])C
SPLASH splash10-00di-0910000000-cfc66ed03787451194b4
Source of Spectrum C-109-7491-20
Synonyms (1S)-4,7,7-trimethyl-3-(1-naphthyl)bicyclo[2.2.1]hept-2-yl 3-oxotetradecanoate 4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl 3-oxotetradecanonate
Wiley ID 1399660