(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione

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Systematic / IUPAC Name: (8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione

ID: Reference7607

Other Names: 2H-3-Benzoxecin-2,9(1H)-dione, 4,5,6,7,8,8a,12,12a-octahydro-12-hydroxy-4-methyl-, (8aR,12S,12aR)-

Formula: C14H20O4

Spectral Data

(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2018 1:40:36 PM
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Identificators

InChI InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9?,10-,11-,13+/m1/s1
InChI Key WTQWDNIIFGEBSZ-ROAVRGLVSA-N
Canonical SMILES CC1CCCCC2C(CC(=O)O1)C(C=CC2=O)O
CAS
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Other Names 2H-3-Benzoxecin-2,9(1H)-dione, 4,5,6,7,8,8a,12,12a-octahydro-12-hydroxy-4-methyl-, (8aR,12S,12aR)-

In Other Databases

PubChem 23760128
ChemSpider 29814035