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2,2,6-Trimethyl-7-tert-butoxy-8-acetoxybicyclo[4.3.0]nona-1(9)-en-3-one
SpectraBase Compound ID z05dSa0hYX
InChI InChI=1S/C18H28O4/c1-11(19)21-12-10-13-17(5,6)14(20)8-9-18(13,7)15(12)22-16(2,3)4/h10,12,15H,8-9H2,1-7H3/t12-,15-,18-/m0/s1
InChIKey QIEHLKZNYHRQID-QITLCBANSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Mq1DliihwP
Name 2,2,6-Trimethyl-7-tert-butoxy-8-acetoxybicyclo[4.3.0]nona-1(9)-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-11(19)21-12-10-13-17(5,6)14(20)8-9-18(13,7)15(12)22-16(2,3)4/h10,12,15H,8-9H2,1-7H3/t12-,15-,18-/m0/s1
InChIKey QIEHLKZNYHRQID-QITLCBANSA-N
Molecular Weight 308.418 g/mol
SMILES C1=2[C@@]([C@@](OC(C)(C)C)([C@](C2)(OC(=O)C)[H])[H])(CCC(C1(C)C)=O)C
SPLASH splash10-0006-6910000000-cb6f3243b642f754ad1b
Source of Spectrum F-50-8421-84
Synonyms (6S,7R,8S)-2,2,6-Trimethyl-7-tert-butoxy-8-acetoxy-bicyclo[4.3.0]nona-1(9)-en-3-one 1-tert-Butoxy-4,4,7a-trimethyl-5-oxo-2,4,5,6,7,7a-hexahydro-1H-inden-2-yl acetate
Wiley ID 1309931