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Cyclopenta[c]pyran-3(1H)-one, 4,4a.beta.,5,6,7,7a.beta.-hexahydro-7.alpha.-methyl-, (.+-.)-
SpectraBase Compound ID 6QvIR9qO5HO
InChI InChI=1S/C9H14O2/c1-6-2-3-7-4-9(10)11-5-8(6)7/h6-8H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKey VGWJUWSHYRJZKH-FXQIFTODSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNujPsUWPGN
Name Cyclopenta[c]pyran-3(1H)-one, 4,4a.beta.,5,6,7,7a.beta.-hexahydro-7.alpha.-methyl-, (.+-.)-
Alternate Name(s) Cyclopenta[c]pyran-3(1H)-one, hexahydro-7-methyl-, (4a.alpha.,7.beta.,7a.alpha.)-(.+-.)- (+-)Boschnialactone (.+-.)-Boschnialactone
CAS Registry Number 16802-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-2-3-7-4-9(10)11-5-8(6)7/h6-8H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKey VGWJUWSHYRJZKH-FXQIFTODSA-N
Molecular Weight 154.209 g/mol
SMILES [C@@]12([C@@](COC(C2)=O)([C@@](C)(CC1)[H])[H])[H]
SPLASH splash10-0uea-6900000000-e30028aa0178253f4395
Source of Spectrum I-68-627-1
Wiley ID 1151357