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3H-3a,6-Methanoazulen-3-one, 1,2,4,5,6,7-hexahydro-7,7,8-trimethyl-, (.+-.)-
SpectraBase Compound ID IVLNm3kEFZ8
InChI InChI=1S/C14H20O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10H,4-8H2,1-3H3
InChIKey NUFITPMPWVXRHU-UHFFFAOYSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNfZzZU5Dlf
Name 3H-3a,6-Methanoazulen-3-one, 1,2,4,5,6,7-hexahydro-7,7,8-trimethyl-, (.+-.)-
Alternate Name(s) (+-)-Isokhusimone (.+-.)-Isokhusimone 6,7,7-trimethyltricyclo[6.2.1.0(1,5)]undec-5-en-2-one
CAS Registry Number 64550-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10H,4-8H2,1-3H3
InChIKey NUFITPMPWVXRHU-UHFFFAOYSA-N
Molecular Weight 204.313 g/mol
SMILES C123C(=C(C)C(C(C3)CC1)(C)C)CCC2=O
SPLASH splash10-014l-2900000000-1701bd65ca3d00098886
Source of Spectrum I-68-809-3
Wiley ID 1202380