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Spiro[cyclohexane-1,3'(2'H)-isoquinoline]-4',6'-diol, 1',4'-dihydro-7'-methoxy-4'-(phenylmethyl)-
SpectraBase Compound ID F6LITUZPL3e
InChI InChI=1S/C22H27NO3/c1-26-20-12-17-15-23-21(10-6-3-7-11-21)22(25,18(17)13-19(20)24)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,23-25H,3,6-7,10-11,14-15H2,1H3
InChIKey ZETIXTLWBXWXLY-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RxMF4FsdRZ
Name Spiro[cyclohexane-1,3'(2'H)-isoquinoline]-4',6'-diol, 1',4'-dihydro-7'-methoxy-4'-(phenylmethyl)-
CAS Registry Number 108439-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-26-20-12-17-15-23-21(10-6-3-7-11-21)22(25,18(17)13-19(20)24)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,23-25H,3,6-7,10-11,14-15H2,1H3
InChIKey ZETIXTLWBXWXLY-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES Oc1c(cc2c(C(C3(NC2)CCCCC3)(Cc2ccccc2)O)c1)OC
SPLASH splash10-00kg-9874000000-6a32c534f3b168b85474
Source of Spectrum KC-1986-1337-0
Synonyms 4'-benzyl-7'-methoxy-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4',6'-diol Spiro[cyclohexane-1,3'(2'H)-4',6'-dihydroxy-7'-methoxy-4'-benzyl-1,2,3,4-tetrahydroisoquinoline]
Wiley ID 1344085