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(5S,10aS)-5-(Hydroxymethyl)-1,5,10,10a-tetrahydro[1,3]oxozolo[3,4-b]isoquinolin-3-one

View entire compound with spectra: 1 MS (GC)

(5S,10aS)-5-(Hydroxymethyl)-1,5,10,10a-tetrahydro[1,3]oxozolo[3,4-b]isoquinolin-3-one
SpectraBase Compound ID KNdcsix1sfR
InChI InChI=1S/C12H13NO3/c14-6-11-10-4-2-1-3-8(10)5-9-7-16-12(15)13(9)11/h1-4,9,11,14H,5-7H2/t9-,11+/m0/s1
InChIKey QMEUBROKYKAPRV-GXSJLCMTSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8Z7NPaHr25
Name (5S,10aS)-5-(Hydroxymethyl)-1,5,10,10a-tetrahydro[1,3]oxozolo[3,4-b]isoquinolin-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c14-6-11-10-4-2-1-3-8(10)5-9-7-16-12(15)13(9)11/h1-4,9,11,14H,5-7H2/t9-,11+/m0/s1
InChIKey QMEUBROKYKAPRV-GXSJLCMTSA-N
Molecular Weight 219.240 g/mol
SMILES OC[C@]1(N2C(OC[C@@]2(Cc2ccccc12)[H])=O)[H]
SPLASH splash10-00kr-0900000000-1b5e8d026c163a488492
Source of Spectrum K1-2004-3616-20
Synonyms (5S,10aS)-5-(hydroxymethyl)-1,5,10,10a-tetrahydrooxazolo[3,4-b]isoquinolin-3-one (5S,10aS)-5-(hydroxymethyl)-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
Wiley ID 1561447