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trans-chrysanthenyl butyrate
SpectraBase Compound ID KC0DcYQkywE
InChI InChI=1S/C14H22O2/c1-5-6-11(15)16-13-10-8-7-9(2)12(13)14(10,3)4/h7,10,12-13H,5-6,8H2,1-4H3/t10-,12+,13+/m1/s1
InChIKey HGTWZXWLAFIIDA-WXHSDQCUSA-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 D0BuZJAE6ue
Name trans-chrysanthenyl butyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-5-6-11(15)16-13-10-8-7-9(2)12(13)14(10,3)4/h7,10,12-13H,5-6,8H2,1-4H3/t10-,12+,13+/m1/s1
InChIKey HGTWZXWLAFIIDA-WXHSDQCUSA-N
Literature Reference DOI 10.1002/pca.1125
Molecular Weight 222.328 g/mol
SMILES [C@@]12(C([C@@]([C@@]2(OC(CCC)=O)[H])(CC=C1C)[H])(C)C)[H]
SPLASH splash10-006x-9200000000-7b784886c27f7f8735e7
Source of Spectrum PA-20-287-72
Synonyms (1R,5S,6S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl butyrate
Wiley ID 1787622