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Phosphonic acid, [3-[2-(3,5-hexadienyl)-3,3-dimethyl-5-oxocyclopentyl]-2-oxopropyl]-, dimethyl ester, trans-(.+-.)-
SpectraBase Compound ID KuVJWj98Kd4
InChI InChI=1S/C18H29O5P/c1-6-7-8-9-10-16-15(17(20)12-18(16,2)3)11-14(19)13-24(21,22-4)23-5/h6-8,15-16H,1,9-13H2,2-5H3/b8-7+/t15-,16-/m0/s1
InChIKey SYCOQWVBDQFKAC-HABDOHHLSA-N
Mol Weight 356.4 g/mol
Molecular Formula C18H29O5P
Exact Mass 356.175261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LluYkNXCM
Name Phosphonic acid, [3-[2-(3,5-hexadienyl)-3,3-dimethyl-5-oxocyclopentyl]-2-oxopropyl]-, dimethyl ester, trans-(.+-.)-
CAS Registry Number 89116-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29O5P
InChI InChI=1S/C18H29O5P/c1-6-7-8-9-10-16-15(17(20)12-18(16,2)3)11-14(19)13-24(21,22-4)23-5/h6-8,15-16H,1,9-13H2,2-5H3/b8-7+/t15-,16-/m0/s1
InChIKey SYCOQWVBDQFKAC-HABDOHHLSA-N
Molecular Weight 356.399 g/mol
SMILES C(P(=O)(OC)OC)C(C[C@@]1(C(CC([C@]1(CC\C=C\C=C)[H])(C)C)=O)[H])=O
SPLASH splash10-0udi-0931000000-d444a1523644181f20df
Source of Spectrum F-39-3241-0
Synonyms 2-(Dimethylphosphonylacetyl)-3-(3,5-hexadienyl)-4-dimehylcyclopentanone Dimethyl 3-{(1S,2S)-2-[(3E)-3,5-hexadienyl]-3,3-dimethyl-5-oxocyclopentyl}-2-oxopropylphosphonate
Wiley ID 1345692