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2(1H)-Naphthalenone, 6-(benzoyloxy)-3,4,6,7,8,8a-hexahydro-5,8a-dimethyl-3-(1-methylethylidene)-, cis-(.+-.)-
SpectraBase Compound ID 6nQv8CPejSi
InChI InChI=1S/C22H26O3/c1-14(2)17-12-18-15(3)20(10-11-22(18,4)13-19(17)23)25-21(24)16-8-6-5-7-9-16/h5-9,20H,10-13H2,1-4H3/t20-,22+/m1/s1
InChIKey XOVVUZPFYWVTMR-IRLDBZIGSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fx3h0uFl6l
Name 2(1H)-Naphthalenone, 6-(benzoyloxy)-3,4,6,7,8,8a-hexahydro-5,8a-dimethyl-3-(1-methylethylidene)-, cis-(.+-.)-
Alternate Name(s) (2R,4aS)-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl benzoate 6.beta.-benzoyloxy-3,4,6,7,8,8a-hexahydro-3-isopropyliden-5,8a.beta.-dimethyl-2(1H)-naphthalenone
CAS Registry Number 79492-83-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-14(2)17-12-18-15(3)20(10-11-22(18,4)13-19(17)23)25-21(24)16-8-6-5-7-9-16/h5-9,20H,10-13H2,1-4H3/t20-,22+/m1/s1
InChIKey XOVVUZPFYWVTMR-IRLDBZIGSA-N
Molecular Weight 338.447 g/mol
SMILES C=12[C@](CC(C(C2)=C(C)C)=O)(CC[C@](C1C)(OC(=O)c1ccccc1)[H])C
SPLASH splash10-0a4i-0900000000-3d77113a31da3cfa490c
Source of Spectrum K-114-2420-0
Wiley ID 1334122