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trans-chrysanthenyl isobutyrate
SpectraBase Compound ID 8dvpZ7nPYh5
InChI InChI=1S/C14H22O2/c1-8(2)13(15)16-12-10-7-6-9(3)11(12)14(10,4)5/h6,8,10-12H,7H2,1-5H3/t10-,11+,12+/m1/s1
InChIKey OSMPHXXLRXFVBK-WOPDTQHZSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNEqLfBSJdJ
Name trans-chrysanthenyl isobutyrate
Alternate Name(s) (1R,5S,6S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl isobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-8(2)13(15)16-12-10-7-6-9(3)11(12)14(10,4)5/h6,8,10-12H,7H2,1-5H3/t10-,11+,12+/m1/s1
InChIKey OSMPHXXLRXFVBK-WOPDTQHZSA-N
Literature Reference DOI 10.1002/pca.1125
Molecular Weight 222.328 g/mol
SMILES [C@@]12(C([C@@]([C@@]2(OC(C(C)C)=O)[H])(CC=C1C)[H])(C)C)[H]
SPLASH splash10-0006-9200000000-bb0b70a8d71199a3f7bd
Source of Spectrum PA-20-287-61
Wiley ID 1787620