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4-Acetoxy-1-methyl-1,2,3,3a.alpha.,4.alpha.,5,6.alpha.,8a.alpha.-octahydro-1,6-epoxyazulene
SpectraBase Compound ID F2QSJY2yQBd
InChI InChI=1S/C13H18O3/c1-8(14)15-12-7-9-3-4-11-10(12)5-6-13(11,2)16-9/h3-4,9-12H,5-7H2,1-2H3/t9-,10+,11+,12+,13-/m0/s1
InChIKey SLCCNDSVRHQLHA-CLPYTZEMSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1Dlwt4thKS
Name 4-Acetoxy-1-methyl-1,2,3,3a.alpha.,4.alpha.,5,6.alpha.,8a.alpha.-octahydro-1,6-epoxyazulene
CAS Registry Number 105620-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8(14)15-12-7-9-3-4-11-10(12)5-6-13(11,2)16-9/h3-4,9-12H,5-7H2,1-2H3/t9-,10+,11+,12+,13-/m0/s1
InChIKey SLCCNDSVRHQLHA-CLPYTZEMSA-N
Molecular Weight 222.284 g/mol
SMILES [C@@]12([C@]3([C@@]([C@](OC(=O)C)(C[C@](C=C3)(O1)[H])[H])([H])CC2)[H])C
SPLASH splash10-0f7o-7900000000-5cfd6855c1c1211babdd
Source of Spectrum J-52-44-28
Synonyms (1S,3R,4R,8R)-7-methyl-11-oxatricyclo[5.3.1.0(4,8)]undec-9-en-3-yl acetate
Wiley ID 1222606