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Tricyclo[4.2.0.0(1,3)]octane-2-carboxaldehyde, 4-(acetyloxy)-3,8,8-trimethyl-, (1S*,2.alpha.,3.beta.,4.alpha.,6.alpha.)-
SpectraBase Compound ID J8yarNsEOd3
InChI InChI=1S/C14H20O3/c1-8(16)17-11-5-9-6-12(2,3)14(9)10(7-15)13(11,14)4/h7,9-11H,5-6H2,1-4H3/t9-,10+,11+,13+,14-/m0/s1
InChIKey JSTMOFGEDSWOJO-LZFBMIIGSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxxCFmEM6ip
Name Tricyclo[4.2.0.0(1,3)]octane-2-carboxaldehyde, 4-(acetyloxy)-3,8,8-trimethyl-, (1S*,2.alpha.,3.beta.,4.alpha.,6.alpha.)-
CAS Registry Number 81959-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-8(16)17-11-5-9-6-12(2,3)14(9)10(7-15)13(11,14)4/h7,9-11H,5-6H2,1-4H3/t9-,10+,11+,13+,14-/m0/s1
InChIKey JSTMOFGEDSWOJO-LZFBMIIGSA-N
Molecular Weight 236.311 g/mol
SMILES [C@@]123[C@]([C@](OC(=O)C)(C[C@]3(CC1(C)C)[H])[H])(C)[C@]2(C=O)[H]
SPLASH splash10-05fu-4900000000-ee152eeac81b7ad1209d
Source of Spectrum H-65-598-0
Synonyms (1R*,4R*,6R*,10S*,11S*)-2,2,8,11-tetramethyl-7-oxatetracyclo-[4.4.1.0(1,4)0(10,11)]undec-8-ene (1S,2S,3S,4R,6R)-2-formyl-3,8,8-trimethyltricyclo[4.2.0.0(1,3)]oct-4-yl acetate
Wiley ID 1238373