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(1S,11R)-4,4,8,12,12-Pentamethyl-3-oxabicyclo[9.1.0]dodeca-7-en-2-one
SpectraBase Compound ID DlnKPwzvLR7
InChI InChI=1S/C16H26O2/c1-11-7-6-10-15(2,3)18-14(17)13-12(9-8-11)16(13,4)5/h7,12-13H,6,8-10H2,1-5H3/b11-7-/t12-,13-/m1/s1
InChIKey XAXFQKMIZAXKSR-CUOXCHRPSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39HNS2Zi4Q1
Name (1S,11R)-4,4,8,12,12-Pentamethyl-3-oxabicyclo[9.1.0]dodeca-7-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-11-7-6-10-15(2,3)18-14(17)13-12(9-8-11)16(13,4)5/h7,12-13H,6,8-10H2,1-5H3/b11-7-/t12-,13-/m1/s1
InChIKey XAXFQKMIZAXKSR-CUOXCHRPSA-N
Molecular Weight 250.382 g/mol
SMILES C1([C@]2(C(OC(CC\C=C/(CC[C@@]12[H])C)(C)C)=O)[H])(C)C
SPLASH splash10-0159-9200000000-ba3203f6ba88b1b3b334
Source of Spectrum C-119-8831-9a
Synonyms (cis)-4,4,8,12,12-Pentamethyl-3-oxabicyclo[9.1.0]dodec-7-en-2-one (1S,11R)-4,4,8,12,12-pentamethyl-3-oxabicyclo[9.1.0]dodec-7-en-2-one cis-4,4,8,12,12-Pentamethyl-3-oxabicyclo[9.1.0]dodeca-7-en-2-one
Wiley ID 1699454