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No Name

View entire compound with spectra: 1 MS (GC)

No Name
SpectraBase Compound ID LH4QgslMcHA
InChI InChI=1S/C13H18O3/c1-6(14)15-13-10-5-11-8-2-7(10)3-9(4-8)12(13)16-11/h7-13H,2-5H2,1H3/t7-,8+,9?,10+,11-,12?,13?/m0/s1
InChIKey JGEMDXWDTALAMD-QKQMREKWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FDtES0aehk
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-6(14)15-13-10-5-11-8-2-7(10)3-9(4-8)12(13)16-11/h7-13H,2-5H2,1H3/t7-,8+,9?,10+,11-,12?,13?/m0/s1
InChIKey JGEMDXWDTALAMD-QKQMREKWSA-N
Molecular Weight 222.1251
SMILES C12C[C@@]3([C@]4(OC2C(OC(C)=O)[C@](C4)([C@@](C3)(C1)[H])[H])[H])[H]
SPLASH splash10-000x-9600000000-a8683965cfeb9de18a1e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany