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Isobornyl isobutanoate <8-isobutyryloxy->
SpectraBase Compound ID 15DnIxbT8zq
InChI InChI=1S/C18H30O4/c1-11(2)15(19)21-10-18(6)13-7-8-17(18,5)14(9-13)22-16(20)12(3)4/h11-14H,7-10H2,1-6H3/t13-,14-,17+,18+/m1/s1
InChIKey TYRVJKXVESQUNB-KNCCTNLNSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5k2F4cESxoC
Name Isobornyl isobutanoate <8-isobutyryloxy->
CAS Registry Number 107783-35-7
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 310.214409442 u
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-11(2)15(19)21-10-18(6)13-7-8-17(18,5)14(9-13)22-16(20)12(3)4/h11-14H,7-10H2,1-6H3/t13-,14-,17+,18+/m1/s1
InChIKey TYRVJKXVESQUNB-KNCCTNLNSA-N
Molecular Weight 310.434 g/mol
Number of Peaks 45
RI1 1894
SMILES C[C@@]12CC[C@](C[C@]2(OC(C(C)C)=O)[H])([C@@]1(COC(C(C)C)=O)C)[H]
SPLASH splash10-0596-9500000000-cb28229722c389e4ff41
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Propanoic acid, 2-methyl-, [(1R,2R,4R,7S)-1,7-dimethyl-2-(2-methyl-1-oxopropoxy)bicyclo[2.2.1]hept-7-yl]methyl ester
Wiley ID LM_FFNSC3_2134
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