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1-Pentalenecarboxylic acid, 3-(acetyloxy)octahydro-1,2,3a-trimethyl-, (1.alpha.,2.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1-Pentalenecarboxylic acid, 3-(acetyloxy)octahydro-1,2,3a-trimethyl-, (1.alpha.,2.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID EOMkAI3Ceq3
InChI InChI=1S/C14H22O4/c1-8-11(18-9(2)15)13(3)7-5-6-10(13)14(8,4)12(16)17/h8,10-11H,5-7H2,1-4H3,(H,16,17)/t8-,10-,11+,13+,14-/m1/s1
InChIKey DWDLFHDDZCPYJY-NGGRDIAXSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiqJLKzIoU
Name 1-Pentalenecarboxylic acid, 3-(acetyloxy)octahydro-1,2,3a-trimethyl-, (1.alpha.,2.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 108613-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-8-11(18-9(2)15)13(3)7-5-6-10(13)14(8,4)12(16)17/h8,10-11H,5-7H2,1-4H3,(H,16,17)/t8-,10-,11+,13+,14-/m1/s1
InChIKey DWDLFHDDZCPYJY-NGGRDIAXSA-N
Molecular Weight 254.326 g/mol
SMILES OC([C@]1([C@]2([C@@](CCC2)(C)[C@]([C@]1(C)[H])(OC(=O)C)[H])[H])C)=O
SPLASH splash10-08n9-5900000000-b45695a34c374b6899dd
Source of Spectrum H-69-667-3
Synonyms (1RS,2SR,3SR,4SR,5SR)-4-acetoxy-2,3,5-trimethylbicyclo[3.3.0]octan-2-carbonsaure (1S,2S,3S,3aS,6aR)-3-(acetyloxy)-1,2,3a-trimethyloctahydro-1-pentalenecarboxylic acid
Wiley ID 1257697