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cis-chrysanthenyl 2-methylbutyrate
SpectraBase Compound ID 8YdgVUwRM47
InChI InChI=1S/C15H24O2/c1-6-9(2)14(16)17-13-11-8-7-10(3)12(13)15(11,4)5/h7,9,11-13H,6,8H2,1-5H3/t9?,11-,12+,13-/m1/s1
InChIKey DMHPMQBUJZDGRF-PLKNYFGKSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PuaeMqKbWI
Name cis-chrysanthenyl 2-methylbutyrate
Alternate Name(s) (1R,5S,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl 2-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-6-9(2)14(16)17-13-11-8-7-10(3)12(13)15(11,4)5/h7,9,11-13H,6,8H2,1-5H3/t9?,11-,12+,13-/m1/s1
InChIKey DMHPMQBUJZDGRF-PLKNYFGKSA-N
Literature Reference DOI 10.1002/pca.1125
Molecular Weight 236.355 g/mol
SMILES [C@]12(C([C@@](CC=C2C)([H])[C@]1(OC(C(CC)C)=O)[H])(C)C)[H]
SPLASH splash10-0a4u-9100000000-5bb588cb7a110b2960c5
Source of Spectrum PA-20-287-88
Wiley ID 1787626