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Bicyclo[4.1.0]heptan-3-ol, 7-methyl-7-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,3.beta.,6.alpha.,7.alpha.)-(.+-.)-
SpectraBase Compound ID 1hZY73VlmIU
InChI InChI=1S/C16H26O2/c1-11(2)6-5-9-16(4)14-8-7-13(10-15(14)16)18-12(3)17/h6,13-15H,5,7-10H2,1-4H3/t13-,14+,15-,16-/m0/s1
InChIKey YEMVZBFQQBXUEO-FZKCQIBNSA-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 48WbkTMxfxe
Name Bicyclo[4.1.0]heptan-3-ol, 7-methyl-7-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,3.beta.,6.alpha.,7.alpha.)-(.+-.)-
Alternate Name(s) (1S,3S,6R,7S)-7-methyl-7-(4-methyl-3-pentenyl)bicyclo[4.1.0]hept-3-yl acetate endo-7-methyl-exo-7-(4-methyl-3-pentenyl)bicyclo[4.1.0]hept-3-yl acetate
CAS Registry Number 97885-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-11(2)6-5-9-16(4)14-8-7-13(10-15(14)16)18-12(3)17/h6,13-15H,5,7-10H2,1-4H3/t13-,14+,15-,16-/m0/s1
InChIKey YEMVZBFQQBXUEO-FZKCQIBNSA-N
Molecular Weight 250.382 g/mol
SMILES [C@@]1([C@]2(C[C@@](OC(=O)C)(CC[C@@]12[H])[H])[H])(CCC=C(C)C)C
SPLASH splash10-0a4l-0900000000-6507ba0b65e789df447d
Source of Spectrum AJ-58-865-13
Wiley ID 1253950