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cis-3a,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a-hexahydroazulen-4(5H)-one
SpectraBase Compound ID ILen1TEAgt
InChI InChI=1S/C13H18O/c1-10-7-9-12(2)8-5-4-6-11(14)13(10,12)3/h7,9H,1,4-6,8H2,2-3H3/t12-,13-/m1/s1
InChIKey TURQTIAZZNSBRK-CHWSQXEVSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCatjikHyKV
Name cis-3a,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a-hexahydroazulen-4(5H)-one
Alternate Name(s) (3aS,8aR)-3a,8a-dimethyl-3-methylene-3a,5,6,7,8,8a-hexahydroazulen-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-10-7-9-12(2)8-5-4-6-11(14)13(10,12)3/h7,9H,1,4-6,8H2,2-3H3/t12-,13-/m1/s1
InChIKey TURQTIAZZNSBRK-CHWSQXEVSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00348
Molecular Weight 190.286 g/mol
SMILES C=1C(=C)[C@]2([C@@](C1)(CCCCC2=O)C)C
SPLASH splash10-0aov-4900000000-6c03d30b81e24d67979a
Source of Spectrum A1-17-1465/SM36-13h
Wiley ID 1805043