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2 (3aSR,5RS,8RS,3S,8aR)-8a-Hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)octahydroazulen-1(2H)-one
SpectraBase Compound ID 4loB60V30Yn
InChI InChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(17)13(8-12)10(3)7-14(15)16/h10-13,17H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15+/m0/s1
InChIKey ORONVKZUAGHNMR-IHWVXMPCSA-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 4uPwLOf7aNx
Name 2 (3aSR,5RS,8RS,3S,8aR)-8a-Hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)octahydroazulen-1(2H)-one
Appearance Clear yellow oil
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Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(17)13(8-12)10(3)7-14(15)16/h10-13,17H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15+/m0/s1
InChIKey ORONVKZUAGHNMR-IHWVXMPCSA-N
Instrument Name Agilent 7890A-5975C or Thermo Scientific Trace 1310-TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202000129
Molecular Weight 236.355 g/mol
SMILES O[C@@]12[C@@](CC[C@](C[C@]2([C@](CC1=O)(C)[H])[H])(C(C)=C)[H])(C)[H]
SPLASH splash10-067l-9500000000-7997564a4022d2ba169b
Sample Comments diastereomer
Source of Spectrum H-103-SM6-5c
Wiley ID 1856300