Debug Info

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8IeyukJO9WB
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8IeyukJO9WB
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Mass Spectrum (GC)
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1,4-Methanopentalen-3(2H)-one, hexahydro-7-(hydroxymethyl)-1-methyl-, (1.alpha.,3a.beta.,4.alpha.,6a.beta.,7R*)-(.+-.)-
SpectraBase Compound ID 7hpLddLzXDp
InChI InChI=1S/C11H16O2/c1-11-4-9(13)10-6(8(11)5-12)2-3-7(10)11/h6-8,10,12H,2-5H2,1H3/t6-,7-,8+,10+,11-/m0/s1
InChIKey ZEIJDGBECGVCPP-UAGLAPSCSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IeyukJO9WB
Name 1,4-Methanopentalen-3(2H)-one, hexahydro-7-(hydroxymethyl)-1-methyl-, (1.alpha.,3a.beta.,4.alpha.,6a.beta.,7R*)-(.+-.)-
CAS Registry Number 78012-04-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11-4-9(13)10-6(8(11)5-12)2-3-7(10)11/h6-8,10,12H,2-5H2,1H3/t6-,7-,8+,10+,11-/m0/s1
InChIKey ZEIJDGBECGVCPP-UAGLAPSCSA-N
Molecular Weight 180.247 g/mol
SMILES OC[C@@]1([C@@]2(CC[C@@]3([C@@]1(CC(=O)[C@]23[H])C)[H])[H])[H]
SPLASH splash10-014i-9500000000-2e325f390f22d96462b5
Source of Spectrum F-42-3287-14
Synonyms (1RS,2RS,3SR,6SR,7RS)-2-(hydroxymethyl)-3-methyltricyclo[4,3,0,0(3,7)]nonan-5-one (1S,2R,3R,6R,7S)-2-(hydroxymethyl)-3-methyltricyclo[4.3.0.0(3,7)]nonan-5-one
Wiley ID 1176537
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