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1-[(3aS,4R,6aS)-4-methyl-6a-methylol-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]propan-1-one
SpectraBase Compound ID 8xWGYcuHUkp
InChI InChI=1S/C13H22O2/c1-3-12(15)11-5-4-10-9(2)6-7-13(10,11)8-14/h9-11,14H,3-8H2,1-2H3/t9-,10+,11?,13+/m1/s1
InChIKey CDPNJDZTWREFLG-ZKWYHIHTSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jdehajtzu05
Name 1-[(3aS,4R,6aS)-4-methyl-6a-methylol-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]propan-1-one
Alternate Name(s) 1-[(3aS,4R,6aS)-6a-(hydroxymethyl)-4-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]-1-propanone 1-[(3aS,4R,6aS)-6a-(hydroxymethyl)-4-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-3-12(15)11-5-4-10-9(2)6-7-13(10,11)8-14/h9-11,14H,3-8H2,1-2H3/t9-,10+,11?,13+/m1/s1
InChIKey CDPNJDZTWREFLG-ZKWYHIHTSA-N
Molecular Weight 210.317 g/mol
SMILES OC[C@@]12C(CC[C@]2([C@](C)(CC1)[H])[H])C(=O)CC
SPLASH splash10-000i-0900000000-6dc61c97d04aba29ba68
Source of Spectrum J-63-2703-18
Wiley ID 1209693