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3H-Cycloprop[1,2]indeno[5,4-b]pyran-3-one, 1,2,5,6,6a,6b,7,7a-octahydro-6a-methyl-7a-(1-methylethyl)-, [6aR-(6a.alpha.,6b.beta.,7a.beta.)]-
SpectraBase Compound ID QqkTo3p79b
InChI InChI=1S/C17H22O2/c1-10(2)17-8-12-11-4-5-15(18)19-13(11)6-7-16(12,3)14(17)9-17/h8,10,14H,4-7,9H2,1-3H3/t14-,16+,17-/m1/s1
InChIKey PKKRSLVYDMHBTN-HYVNUMGLSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID He39sa4fgNo
Name 3H-Cycloprop[1,2]indeno[5,4-b]pyran-3-one, 1,2,5,6,6a,6b,7,7a-octahydro-6a-methyl-7a-(1-methylethyl)-, [6aR-(6a.alpha.,6b.beta.,7a.beta.)]-
CAS Registry Number 88166-37-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-10(2)17-8-12-11-4-5-15(18)19-13(11)6-7-16(12,3)14(17)9-17/h8,10,14H,4-7,9H2,1-3H3/t14-,16+,17-/m1/s1
InChIKey PKKRSLVYDMHBTN-HYVNUMGLSA-N
Molecular Weight 258.361 g/mol
SMILES [C@@]12([C@]([C@]3(CCC4=C(C3=C2)CCC(=O)O4)C)([H])C1)C(C)C
SPLASH splash10-0a4i-0090000000-e9230c557b37f416aece
Source of Spectrum H-66-1813-0
Synonyms (6aR,6bS,7aR)-7a-isopropyl-6a-methyl-1,2,5,6,6a,6b,7,7a-octahydro-3H-cyclopropa[3,4]cyclopenta[1,2-f]chromen-3-one 4.alpha.-isopropyl-7.beta.-methyl-11-oxatetracyclo[8.4.0.0(2,7).0(4,6)]tetradeca-1(10),2-dien-12-one
Wiley ID 1262172