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object
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_id
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1xMLGIVu6Nb
spectrumID
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1xMLGIVu6Nb
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131072
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analyticalTechnique
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Mass Spectrum (GC)
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Phosphonic acid, diethyl 3,4,4a,5,6,7,8,8a-octahydro-4a-methyl-5-oxo-2-naphthalenyl ester,cis
SpectraBase Compound ID Jq4b95cJy08
InChI InChI=1S/C15H25O5P/c1-4-18-21(17,19-5-2)20-13-9-10-15(3)12(11-13)7-6-8-14(15)16/h9,12H,4-8,10-11H2,1-3H3/t12-,15+/m1/s1
InChIKey KGQJUDDWZCCZGE-DOMZBBRYSA-N
Mol Weight 316.33 g/mol
Molecular Formula C15H25O5P
Exact Mass 316.143961 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xMLGIVu6Nb
Name Phosphonic acid, diethyl 3,4,4a,5,6,7,8,8a-octahydro-4a-methyl-5-oxo-2-naphthalenyl ester,cis
CAS Registry Number 137626-84-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25O5P
InChI InChI=1S/C15H25O5P/c1-4-18-21(17,19-5-2)20-13-9-10-15(3)12(11-13)7-6-8-14(15)16/h9,12H,4-8,10-11H2,1-3H3/t12-,15+/m1/s1
InChIKey KGQJUDDWZCCZGE-DOMZBBRYSA-N
Molecular Weight 316.334 g/mol
SMILES C1(OP(=O)(OCC)OCC)=CC[C@]2([C@@](C1)(CCCC2=O)[H])C
SPLASH splash10-029w-4901000000-3e852b8a58da5984eeed
Source of Spectrum J-57-320-17
Wiley ID 1316544
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