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rel-(1R,3aR,7S,7aR)-1,2,3,6,7,7a-hexahydro-1-methyl-7,3a-(epoxymethano)-3aH-inden-9-one
SpectraBase Compound ID 92NGgScxMhh
InChI InChI=1S/C11H14O2/c1-7-4-6-11-5-2-3-8(9(7)11)13-10(11)12/h2,5,7-9H,3-4,6H2,1H3/t7-,8+,9+,11-/m1/s1
InChIKey XBSRSPPMSNORDK-UYAYMFIHSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aBjup4DttK
Name rel-(1R,3aR,7S,7aR)-1,2,3,6,7,7a-hexahydro-1-methyl-7,3a-(epoxymethano)-3aH-inden-9-one
CAS Registry Number 114837-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-7-4-6-11-5-2-3-8(9(7)11)13-10(11)12/h2,5,7-9H,3-4,6H2,1H3/t7-,8+,9+,11-/m1/s1
InChIKey XBSRSPPMSNORDK-UYAYMFIHSA-N
Molecular Weight 178.231 g/mol
SMILES [C@]123C(O[C@]([C@@]3([C@](C)(CC1)[H])[H])(CC=C2)[H])=O
SPLASH splash10-00kf-9500000000-b7f7a4fe92fe041db59b
Source of Spectrum J-53-3215-24
Synonyms rel-(1S,3aR,7S,7aR)-1,2,3,6,7,7a-hexahydro-1-methyl-7,3a-(epoxymethano)-3aH-inden-9-one (1S,4R,5R,6S)-4-methyl-11-oxatricyclo[4.3.2.0(1,5)]undec-8-en-10-one
Wiley ID 1174349