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cis-1.beta.-Methoxy-4.beta.-carbomethoxy-4a,5,8,8a-tetrahydroisochroman
SpectraBase Compound ID 8SGU1GFPl1J
InChI InChI=1S/C12H18O4/c1-14-11(13)10-7-16-12(15-2)9-6-4-3-5-8(9)10/h3-4,8-10,12H,5-7H2,1-2H3/t8?,9?,10-,12+/m1/s1
InChIKey OUBKKIVGWYYHRZ-PTFDWCFRSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4rStYpzchM
Name cis-1.beta.-Methoxy-4.beta.-carbomethoxy-4a,5,8,8a-tetrahydroisochroman
CAS Registry Number 71117-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-14-11(13)10-7-16-12(15-2)9-6-4-3-5-8(9)10/h3-4,8-10,12H,5-7H2,1-2H3/t8?,9?,10-,12+/m1/s1
InChIKey OUBKKIVGWYYHRZ-PTFDWCFRSA-N
Molecular Weight 226.272 g/mol
SMILES [C@]1(C2C(CC=CC2)[C@](OC1)(OC)[H])(C(=O)OC)[H]
SPLASH splash10-004i-9420000000-75a0b0a3f671d77071de
Source of Spectrum J-44-3504-0
Synonyms Methyl (1S,4S)-1-methoxy-3,4,4a,5,8,8a-hexahydro-1H-2-benzopyran-4-carboxylate
Wiley ID 1227261