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1H-Inden-1-one, 2,3,3a,4,5,7a-hexahydro-6-methoxy-3a-methyl-, cis-
SpectraBase Compound ID 8k476jVwg05
InChI InChI=1S/C11H16O2/c1-11-5-3-8(13-2)7-9(11)10(12)4-6-11/h7,9H,3-6H2,1-2H3/t9-,11+/m0/s1
InChIKey HZTNLQKCTGNRPN-GXSJLCMTSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oJWrX3yNYA
Name 1H-Inden-1-one, 2,3,3a,4,5,7a-hexahydro-6-methoxy-3a-methyl-, cis-
Alternate Name(s) (3aR,7aR)-6-methoxy-3a-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-one 4-Methoxy-1-methyl-cis-bicyclo[4.3.0]non-4-en-7-one
CAS Registry Number 106004-20-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11-5-3-8(13-2)7-9(11)10(12)4-6-11/h7,9H,3-6H2,1-2H3/t9-,11+/m0/s1
InChIKey HZTNLQKCTGNRPN-GXSJLCMTSA-N
Molecular Weight 180.247 g/mol
SMILES [C@@]12([C@@](CCC2=O)(CCC(=C1)OC)C)[H]
SPLASH splash10-00di-0900000000-502f125f0eba49b6f285
Source of Spectrum AJ-59-543-5
Wiley ID 1176609