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4,7-METHANO-1H-INDENE-3-ACETIC ACID, 3A,4,7,7A-TETRAHYDRO-1-HYDROXY-alpha-METHYL-, [1alpha,3(R*),3Aalpha,4alpha,7alpha,7A.

View entire compound with spectra: 1 MS (GC)

4,7-METHANO-1H-INDENE-3-ACETIC ACID, 3A,4,7,7A-TETRAHYDRO-1-HYDROXY-alpha-METHYL-, [1alpha,3(R*),3Aalpha,4alpha,7alpha,7A.
SpectraBase Compound ID Btjxrgu42es
InChI InChI=1S/C13H16O3/c1-6(13(15)16)9-5-10(14)12-8-3-2-7(4-8)11(9)12/h2-3,5-8,10-12,14H,4H2,1H3,(H,15,16)/t6?,7-,8+,10?,11?,12?/m0/s1
InChIKey NDUROSIPBWIVKV-IEYIAIPBSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSVqftyPDma
Name 4,7-METHANO-1H-INDENE-3-ACETIC ACID, 3A,4,7,7A-TETRAHYDRO-1-HYDROXY-alpha-METHYL-, [1alpha,3(R*),3Aalpha,4alpha,7alpha,7A.
Alternate Name(s) 4,7-METHANO-1H-INDENE-3-ACETIC ACID, 3A,4,7,7A-TETRAHYDRO-1-HYDROXY-alpha-METHYL-, [1alpha,3(R*),3Aalpha,4alpha,7alpha,7Aalpha]-
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Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-6(13(15)16)9-5-10(14)12-8-3-2-7(4-8)11(9)12/h2-3,5-8,10-12,14H,4H2,1H3,(H,15,16)/t6?,7-,8+,10?,11?,12?/m0/s1
InChIKey NDUROSIPBWIVKV-IEYIAIPBSA-N
Molecular Weight 220.1095
SMILES OC1C=C(C(C(O)=O)C)C2C1[C@]1(C[C@@]2(C=C1)[H])[H]
SPLASH splash10-0a4i-6910000000-483a95259f05f7929437
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany